data_2kel_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 2kel _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.577 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.408 HG23 ' CD1' ' B' ' 19' ' ' TYR . 2.2 t -108.97 162.17 6.9 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 178.445 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.557 ' O ' ' HA2' ' B' ' 17' ' ' GLY . 2.6 t80 -150.77 124.03 8.88 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.066 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.546 ' HA2' ' O ' ' B' ' 16' ' ' PHE . . . -129.81 96.02 0.37 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 121.066 -0.587 . . . . 0.0 111.745 -179.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.704 HD11 HG22 ' B' ' 40' ' ' THR . 35.5 pt -125.12 166.81 20.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.979 0.419 . . . . 0.0 112.054 -174.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.427 ' CD1' HG23 ' B' ' 15' ' ' VAL . 62.2 m-85 -107.63 94.32 5.02 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.073 176.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 23.0 ptm -106.4 161.5 14.52 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.933 -178.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.08 155.85 19.41 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.071 0.462 . . . . 0.0 111.332 -178.074 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -76.77 -63.62 1.31 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.478 -175.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -50.05 -39.13 41.01 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 123.811 0.694 . . . . 0.0 111.922 -175.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.6 HD12 ' CG2' ' B' ' 47' ' ' ILE . 0.5 OUTLIER -70.21 -54.98 10.47 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.715 -179.746 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.457 ' HZ1' ' HB3' ' A' ' 25' ' ' LYS . 3.4 ttpm? -62.02 -32.84 73.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.714 0.769 . . . . 0.0 109.845 179.297 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.458 ' O ' HG22 ' A' ' 30' ' ' VAL . 18.4 m -77.81 -33.93 52.27 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.63 -1.168 . . . . 0.0 110.922 -176.181 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.602 ' HG3' ' HG ' ' B' ' 51' ' ' LEU . 12.3 tpp180 -56.42 -50.06 72.75 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.338 0.59 . . . . 0.0 109.432 171.519 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.772 ' HG ' HD11 ' B' ' 47' ' ' ILE . 3.3 tm? -62.28 -36.06 80.91 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.685 176.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.427 ' C ' ' HD3' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -58.38 -39.87 80.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.198 0.523 . . . . 0.0 110.033 175.643 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 26' ' ' THR . 96.0 t -71.14 -31.73 45.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.641 177.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.457 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 84.4 t80 -63.79 -38.57 91.59 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.547 173.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.727 ' HG ' HD13 ' A' ' 28' ' ' LEU . 76.8 m -73.34 -24.13 60.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.806 178.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.23 -36.77 39.47 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.28 0.562 . . . . 0.0 110.051 176.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -72.38 -44.28 62.76 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.431 -178.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.446 ' HB3' HD12 ' A' ' 37' ' ' LEU . 41.5 m-80 -94.46 1.68 55.76 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.792 0.329 . . . . 0.0 110.518 -179.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.3 m120 56.02 24.43 7.76 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.318 -174.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.446 HD12 ' HB3' ' A' ' 35' ' ' ASN . 1.8 mp -72.25 167.23 20.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.466 178.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -87.73 135.72 33.26 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.327 172.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.464 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 0.2 OUTLIER -45.53 -52.04 10.98 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 123.588 0.555 . . . . 0.0 110.864 177.612 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.714 HG22 HD11 ' B' ' 18' ' ' ILE . 3.9 m -59.41 -49.54 77.4 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.521 -179.227 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.446 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 22.9 tt0 -55.44 -38.05 68.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.66 -179.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.703 ' HB3' HD12 ' A' ' 28' ' ' LEU . . . -69.95 -44.37 69.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.17 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.5 mp -57.72 -46.13 86.8 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.161 0 CA-C-O 120.997 0.427 . . . . 0.0 110.318 175.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.487 ' HA ' HG21 ' A' ' 47' ' ' ILE . 48.0 mt-10 -62.93 -43.47 98.7 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.81 -178.293 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 41' ' ' GLN . 31.5 mm-40 -63.45 -39.02 93.35 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 175.035 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.855 ' HB1' ' HA ' ' B' ' 47' ' ' ILE . . . -62.69 -54.68 35.66 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.653 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.84 ' HA ' ' HB1' ' B' ' 46' ' ' ALA . 6.3 tt -70.57 -26.12 27.98 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.112 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.856 -176.087 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.905 ' HE2' HE22 ' A' ' 52' ' ' GLN . 1.4 tpmt? -68.95 -55.94 9.39 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.496 177.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -70.91 -9.78 58.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.717 -177.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.584 ' CD1' ' HA ' ' B' ' 46' ' ' ALA . 58.8 t80 -80.3 -46.49 16.07 Favored 'General case' 0 N--CA 1.438 -1.049 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.233 178.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.62 ' HG ' ' HG3' ' B' ' 27' ' ' ARG . 0.1 OUTLIER -61.22 -40.44 94.0 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.584 177.65 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.905 HE22 ' HE2' ' A' ' 48' ' ' LYS . 1.9 mp0 . . . . . 0 C--N 1.321 -0.655 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.084 -177.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.702 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.427 HG23 ' CD1' ' A' ' 19' ' ' TYR . 2.3 t -109.45 161.87 7.52 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 178.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . 0.546 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 2.7 t80 -150.6 124.28 9.13 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.028 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . 0.557 ' HA2' ' O ' ' A' ' 16' ' ' PHE . . . -130.0 95.81 0.36 Allowed Glycine 0 N--CA 1.45 -0.37 0 N-CA-C 111.649 -0.58 . . . . 0.0 111.649 -179.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . 0.714 HD11 HG22 ' A' ' 40' ' ' THR . 36.0 pt -124.94 166.46 20.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.906 0.384 . . . . 0.0 111.971 -174.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . 0.408 ' CD1' HG23 ' A' ' 15' ' ' VAL . 62.0 m-85 -107.32 94.45 5.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.792 176.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 23.2 ptm -106.44 161.41 14.62 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.86 -178.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.97 156.14 18.35 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.256 0.55 . . . . 0.0 111.482 -178.042 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -77.17 -63.46 1.36 Allowed 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.499 -175.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -49.89 -39.74 40.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 123.924 0.765 . . . . 0.0 111.823 -175.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . 0.605 HD12 ' CG2' ' A' ' 47' ' ' ILE . 0.6 OUTLIER -69.62 -55.41 10.13 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.763 -179.821 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.47 ' HB3' ' HZ1' ' B' ' 25' ' ' LYS . 3.4 ttpm? -61.9 -32.69 73.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.832 0.825 . . . . 0.0 109.821 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' THR . . . . . 0.457 ' O ' HG22 ' B' ' 30' ' ' VAL . 19.0 m -78.06 -33.84 50.71 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.674 -1.148 . . . . 0.0 111.094 -176.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . 0.62 ' HG3' ' HG ' ' A' ' 51' ' ' LEU . 12.3 tpp180 -56.29 -49.88 73.01 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 171.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.746 ' HG ' HD11 ' A' ' 47' ' ' ILE . 3.3 tm? -62.47 -36.13 81.5 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.615 176.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.435 ' C ' ' HD3' ' B' ' 29' ' ' LYS . 0.8 OUTLIER -58.24 -40.08 80.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.304 0.573 . . . . 0.0 110.02 175.693 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.457 HG22 ' O ' ' B' ' 26' ' ' THR . 95.0 t -71.06 -31.48 45.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.536 0.684 . . . . 0.0 110.769 177.549 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' TYR . . . . . 0.458 ' HB3' ' O ' ' B' ' 28' ' ' LEU . 84.6 t80 -64.13 -38.4 90.92 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.586 173.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' CYS . . . . . 0.71 ' HG ' HD13 ' B' ' 28' ' ' LEU . 77.0 m -73.17 -24.27 60.53 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.84 177.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.24 -36.8 39.39 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.536 0.684 . . . . 0.0 109.875 177.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -72.45 -44.13 62.8 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.495 -178.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . 0.458 ' HB3' HD12 ' B' ' 37' ' ' LEU . 41.2 m-80 -94.54 1.44 55.67 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.5 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 8.1 m120 56.04 25.02 8.38 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.18 -174.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.458 HD12 ' HB3' ' B' ' 35' ' ' ASN . 1.7 mp -72.86 167.04 21.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.425 178.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -87.75 135.45 33.37 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.128 172.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . 0.473 ' HA ' ' SG ' ' B' ' 32' ' ' CYS . 0.2 OUTLIER -45.09 -52.1 9.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 123.632 0.582 . . . . 0.0 111.13 177.214 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' THR . . . . . 0.704 HG22 HD11 ' A' ' 18' ' ' ILE . 4.1 m -59.33 -49.59 77.22 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.289 -179.139 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.456 ' NE2' ' HG ' ' B' ' 37' ' ' LEU . 22.9 tt0 -55.72 -37.75 68.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.727 -178.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . 0.734 ' HB3' HD12 ' B' ' 28' ' ' LEU . . . -70.12 -44.05 69.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.242 179.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 1.5 mp -57.84 -46.49 87.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.968 0.413 . . . . 0.0 110.277 175.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.47 ' HA ' HG21 ' B' ' 47' ' ' ILE . 47.8 mt-10 -62.46 -43.59 98.45 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.951 -178.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' B' ' 41' ' ' GLN . 30.3 mm-40 -63.4 -39.15 93.73 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 174.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.84 ' HB1' ' HA ' ' A' ' 47' ' ' ILE . . . -62.67 -54.76 34.47 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.665 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.855 ' HA ' ' HB1' ' A' ' 46' ' ' ALA . 6.3 tt -70.3 -26.0 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.099 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.889 -176.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.872 ' HE2' HE22 ' B' ' 52' ' ' GLN . 1.4 tpmt? -69.2 -55.72 9.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.962 0.41 . . . . 0.0 110.503 177.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -71.01 -9.92 58.86 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.61 -177.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' TYR . . . . . 0.574 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 59.2 t80 -80.11 -46.54 16.28 Favored 'General case' 0 N--CA 1.439 -1.014 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.326 178.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.602 ' HG ' ' HG3' ' A' ' 27' ' ' ARG . 0.1 OUTLIER -61.25 -40.4 93.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.511 177.661 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.872 HE22 ' HE2' ' B' ' 48' ' ' LYS . 1.8 mp0 . . . . . 0 C--N 1.32 -0.675 0 C-N-CA 120.516 -0.473 . . . . 0.0 111.182 -177.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.644 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.4 t -104.78 161.24 4.88 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.979 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.569 ' O ' ' HA2' ' B' ' 17' ' ' GLY . 3.3 t80 -150.98 122.01 7.67 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.63 -179.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.555 ' HA2' ' O ' ' B' ' 16' ' ' PHE . . . -130.36 94.53 0.33 Allowed Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 111.631 -0.587 . . . . 0.0 111.631 -178.139 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.674 HD12 HG23 ' B' ' 40' ' ' THR . 43.0 pt -124.26 172.5 11.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.956 0.408 . . . . 0.0 111.618 -173.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.412 ' CD1' HG22 ' B' ' 15' ' ' VAL . 68.4 m-85 -115.95 98.55 6.71 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.975 178.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.4 ' HB2' ' HG2' ' B' ' 44' ' ' GLU . 21.6 ptm -110.2 163.88 13.19 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.354 -175.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -62.94 155.49 27.16 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.075 0.464 . . . . 0.0 111.647 -178.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -75.15 -66.21 0.79 Allowed 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.52 -178.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -48.32 -31.77 6.49 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 123.648 0.592 . . . . 0.0 112.135 -175.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.632 HD13 ' CG2' ' B' ' 47' ' ' ILE . 0.6 OUTLIER -78.56 -55.37 5.25 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.767 -179.67 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.448 ' HB3' ' HZ2' ' A' ' 25' ' ' LYS . 3.4 ttpm? -62.19 -33.38 74.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.81 0.814 . . . . 0.0 109.805 178.057 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.467 ' O ' HG21 ' A' ' 30' ' ' VAL . 54.6 m -77.4 -33.47 55.04 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.625 -1.17 . . . . 0.0 110.361 -176.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.696 ' HG3' ' HG ' ' B' ' 51' ' ' LEU . 17.8 tpp180 -54.08 -53.25 55.77 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.767 0.794 . . . . 0.0 109.38 171.206 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.734 ' HG ' HD12 ' B' ' 47' ' ' ILE . 3.2 tm? -61.7 -36.98 82.47 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.665 -1.152 . . . . 0.0 111.425 175.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.441 ' C ' ' HD3' ' A' ' 29' ' ' LYS . 13.1 tmtt? -55.64 -43.36 76.16 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.092 0.472 . . . . 0.0 110.268 176.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.467 HG21 ' O ' ' A' ' 26' ' ' THR . 91.2 t -67.0 -33.32 62.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.598 178.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.439 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 91.3 t80 -64.45 -38.73 92.04 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.763 175.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.708 ' HG ' HD12 ' A' ' 28' ' ' LEU . 77.3 m -75.1 -26.32 59.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.28 179.076 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.88 -37.3 40.54 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.284 0.564 . . . . 0.0 110.277 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -78.25 -38.4 42.97 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.632 -176.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.471 ' HB3' HD11 ' A' ' 37' ' ' LEU . 44.0 m-80 -94.63 0.4 55.11 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.863 0.363 . . . . 0.0 110.494 178.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.1 m120 58.2 23.27 10.08 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.765 -174.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.531 ' HG ' ' NE2' ' A' ' 41' ' ' GLN . 1.9 mp -73.11 165.7 24.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.195 179.222 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -89.13 133.08 34.53 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.311 175.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.494 HD12 ' CZ ' ' B' ' 16' ' ' PHE . 0.1 OUTLIER -47.65 -51.52 21.23 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 123.578 0.549 . . . . 0.0 110.798 177.733 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.678 HG23 HD12 ' B' ' 18' ' ' ILE . 14.5 m -61.65 -48.61 80.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.292 -179.186 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.531 ' NE2' ' HG ' ' A' ' 37' ' ' LEU . 24.8 tt0 -54.28 -40.93 68.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.64 178.263 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.708 ' HB3' HD11 ' A' ' 28' ' ' LEU . . . -66.48 -44.66 82.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.954 -179.231 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.503 HG21 HD13 ' B' ' 18' ' ' ILE . 1.5 mp -58.74 -46.56 90.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.902 0.382 . . . . 0.0 110.602 175.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.436 ' HA ' HG22 ' A' ' 47' ' ' ILE . 45.7 mt-10 -62.26 -44.27 96.92 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.771 -179.079 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -64.41 -38.38 90.84 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.112 0.482 . . . . 0.0 109.807 175.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.794 ' HB2' ' HA ' ' B' ' 47' ' ' ILE . . . -61.86 -54.42 42.26 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.801 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.813 ' HA ' ' HB2' ' B' ' 46' ' ' ALA . 8.2 tt -70.77 -24.51 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.199 0 CA-C-N 115.054 -0.975 . . . . 0.0 110.608 -176.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.444 ' HE3' HD22 ' B' ' 24' ' ' LEU . 2.3 tpmt? -68.28 -59.89 2.86 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.572 176.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -63.69 -17.11 62.63 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.045 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.631 ' CD1' ' HA ' ' B' ' 46' ' ' ALA . 56.8 t80 -74.18 -46.92 39.09 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.321 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.685 ' HG ' ' HG3' ' B' ' 27' ' ' ARG . 0.2 OUTLIER -62.83 -39.09 93.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.716 176.292 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 C--N 1.323 -0.585 0 CA-C-O 120.755 0.312 . . . . 0.0 111.447 -177.781 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.683 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.412 HG22 ' CD1' ' A' ' 19' ' ' TYR . 2.4 t -104.11 161.59 4.52 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . 0.555 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 3.3 t80 -151.26 122.28 7.66 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . 0.569 ' HA2' ' O ' ' A' ' 16' ' ' PHE . . . -130.62 95.04 0.32 Allowed Glycine 0 N--CA 1.451 -0.358 0 N-CA-C 111.534 -0.626 . . . . 0.0 111.534 -178.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . 0.678 HD12 HG23 ' A' ' 40' ' ' THR . 43.1 pt -124.34 172.87 11.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.81 0.338 . . . . 0.0 111.666 -174.038 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -116.37 98.04 6.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.079 178.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' MET . . . . . 0.418 ' HB2' ' HG2' ' A' ' 44' ' ' GLU . 21.5 ptm -109.63 164.08 12.87 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.38 -175.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -62.85 155.54 26.71 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.015 0.436 . . . . 0.0 111.721 -178.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -75.33 -66.51 0.76 Allowed 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.416 -178.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -48.19 -31.24 5.49 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 123.649 0.593 . . . . 0.0 112.241 -175.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . 0.635 HD13 ' CG2' ' A' ' 47' ' ' ILE . 0.6 OUTLIER -79.13 -55.54 5.03 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.732 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.483 ' HZ2' ' HB3' ' B' ' 25' ' ' LYS . 3.4 ttpm? -61.8 -33.83 74.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.74 0.781 . . . . 0.0 109.69 178.02 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' THR . . . . . 0.466 ' O ' HG21 ' B' ' 30' ' ' VAL . 53.6 m -76.92 -33.37 57.74 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.632 -1.167 . . . . 0.0 110.419 -176.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . 0.685 ' HG3' ' HG ' ' A' ' 51' ' ' LEU . 17.4 tpp180 -54.31 -53.17 57.42 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.731 0.777 . . . . 0.0 109.214 171.562 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.73 HD12 ' HG ' ' B' ' 32' ' ' CYS . 3.2 tm? -61.72 -36.97 82.49 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.631 -1.168 . . . . 0.0 111.395 175.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.456 ' C ' ' HD3' ' B' ' 29' ' ' LYS . 13.1 tmtt? -55.67 -43.28 76.18 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.141 0.496 . . . . 0.0 110.288 176.063 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.466 HG21 ' O ' ' B' ' 26' ' ' THR . 89.5 t -66.94 -33.27 62.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.75 178.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' TYR . . . . . 0.444 ' HB3' ' O ' ' B' ' 28' ' ' LEU . 91.2 t80 -64.52 -38.98 92.88 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.629 175.518 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' CYS . . . . . 0.73 ' HG ' HD12 ' B' ' 28' ' ' LEU . 77.6 m -75.18 -26.05 58.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.315 179.205 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.07 -37.52 38.67 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.383 0.611 . . . . 0.0 110.194 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -77.82 -38.46 46.28 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.597 -176.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . 0.454 ' HB3' HD11 ' B' ' 37' ' ' LEU . 44.2 m-80 -94.62 0.42 55.12 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.43 178.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 16.5 m120 58.23 23.13 9.97 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.893 -174.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.523 ' HG ' ' NE2' ' B' ' 41' ' ' GLN . 1.9 mp -72.98 165.64 24.6 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.258 179.181 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -89.32 132.66 34.83 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.337 176.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . 0.493 HD12 ' CZ ' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -47.34 -51.51 19.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 123.598 0.561 . . . . 0.0 110.743 177.895 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' THR . . . . . 0.674 HG23 HD12 ' A' ' 18' ' ' ILE . 11.6 m -61.59 -48.82 79.19 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.286 -179.08 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.523 ' NE2' ' HG ' ' B' ' 37' ' ' LEU . 24.7 tt0 -54.25 -40.76 68.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.461 178.371 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . 0.723 ' HB3' HD11 ' B' ' 28' ' ' LEU . . . -66.58 -44.69 81.55 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.985 -179.319 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.514 HG21 HD13 ' A' ' 18' ' ' ILE . 1.5 mp -58.8 -46.61 90.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.83 0.348 . . . . 0.0 110.459 175.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.425 ' HA ' HG22 ' B' ' 47' ' ' ILE . 45.2 mt-10 -62.23 -43.81 97.98 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.896 -179.034 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -64.73 -38.45 91.03 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.16 0.505 . . . . 0.0 109.794 174.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.813 ' HB2' ' HA ' ' A' ' 47' ' ' ILE . . . -61.81 -54.43 42.36 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.857 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.794 ' HA ' ' HB2' ' A' ' 46' ' ' ALA . 8.2 tt -70.75 -24.27 24.82 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.216 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.626 -176.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.443 ' HE3' HD22 ' A' ' 24' ' ' LEU . 2.3 tpmt? -68.54 -59.74 2.92 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.524 176.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.91 -16.89 62.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.948 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' TYR . . . . . 0.62 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 56.5 t80 -74.39 -46.82 37.86 Favored 'General case' 0 N--CA 1.438 -1.04 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.305 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.696 ' HG ' ' HG3' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -62.77 -39.17 93.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.706 176.365 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 C--N 1.324 -0.541 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.616 -177.674 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.439 ' O ' ' HA ' ' B' ' 19' ' ' TYR . . . . . . . . 0 N--CA 1.446 -0.651 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.427 HG23 ' CD1' ' B' ' 19' ' ' TYR . 2.1 t -110.81 158.87 11.1 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.531 ' O ' ' HA2' ' B' ' 17' ' ' GLY . 3.3 t80 -151.38 118.48 5.9 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 -178.211 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.549 ' HA2' ' O ' ' B' ' 16' ' ' PHE . . . -125.54 96.56 0.5 Allowed Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 111.463 -0.655 . . . . 0.0 111.463 -178.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.728 HD12 HG23 ' B' ' 40' ' ' THR . 35.9 pt -123.72 166.78 18.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.967 0.413 . . . . 0.0 111.875 -174.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.438 ' HA ' ' O ' ' B' ' 14' ' ' ALA . 66.6 m-85 -106.61 95.67 5.91 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.072 175.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.505 ' HB2' ' HG2' ' B' ' 44' ' ' GLU . 23.8 ptm -107.54 159.91 16.07 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.001 -178.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.73 155.62 9.83 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.204 0.526 . . . . 0.0 111.207 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -79.93 -61.27 2.04 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.886 -177.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -46.84 -37.73 9.18 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.112 0.882 . . . . 0.0 112.0 -176.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.68 HD13 ' CG2' ' B' ' 47' ' ' ILE . 0.5 OUTLIER -76.82 -53.18 8.25 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.852 -178.503 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.435 ' HD2' ' CD1' ' B' ' 16' ' ' PHE . 3.5 ttpm? -60.29 -33.19 72.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.669 0.747 . . . . 0.0 109.586 177.358 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.486 ' O ' HG22 ' A' ' 30' ' ' VAL . 32.3 m -75.5 -34.68 60.86 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.634 -1.167 . . . . 0.0 110.705 -178.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.614 ' HG3' ' HG ' ' B' ' 51' ' ' LEU . 15.6 tpp180 -56.65 -50.59 71.61 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.425 0.631 . . . . 0.0 109.765 172.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.743 HD13 ' HG ' ' A' ' 32' ' ' CYS . 3.2 tm? -62.46 -34.65 77.24 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.87 175.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.459 ' C ' ' HD3' ' A' ' 29' ' ' LYS . 1.1 tmtp? -57.77 -40.48 79.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.188 0.518 . . . . 0.0 109.96 175.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 26' ' ' THR . 96.6 t -67.31 -33.44 62.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.611 0.72 . . . . 0.0 110.731 177.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.436 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 78.3 t80 -65.52 -39.05 91.35 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.846 175.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.743 ' HG ' HD13 ' A' ' 28' ' ' LEU . 76.9 m -74.4 -22.9 58.94 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.916 179.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.32 -37.94 27.55 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.339 0.59 . . . . 0.0 110.176 176.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.569 ' HZ2' ' HB2' ' A' ' 34' ' ' LYS . 4.4 ttmp? -71.01 -43.45 67.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.25 -178.257 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.601 ' HB3' HD13 ' A' ' 37' ' ' LEU . 34.6 m-80 -94.74 0.65 55.15 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.315 -179.111 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 55.88 25.05 8.13 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.335 -173.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.601 HD13 ' HB3' ' A' ' 35' ' ' ASN . 2.3 mp -74.62 166.34 23.73 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.301 0.572 . . . . 0.0 111.515 179.528 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -84.57 134.63 34.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.611 174.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.502 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 0.1 OUTLIER -48.37 -50.28 31.24 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 123.605 0.566 . . . . 0.0 110.809 177.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.752 HG23 HD12 ' B' ' 18' ' ' ILE . 11.4 m -63.16 -48.66 77.47 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.342 -178.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.485 ' NE2' ' HG ' ' A' ' 37' ' ' LEU . 18.6 tt0 -53.56 -40.71 65.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.198 179.037 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.737 ' HB1' HD12 ' A' ' 28' ' ' LEU . . . -66.27 -45.88 78.97 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.125 -179.388 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.506 ' O ' HG23 ' A' ' 47' ' ' ILE . 1.5 mp -57.03 -47.03 84.26 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.204 0 CA-C-O 120.796 0.331 . . . . 0.0 110.557 176.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.493 ' HG2' ' HB2' ' B' ' 20' ' ' MET . 43.6 mt-10 -62.1 -44.87 95.72 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.097 -177.21 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -68.33 -30.93 70.01 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 176.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.829 ' HB3' ' HA ' ' B' ' 47' ' ' ILE . . . -65.19 -56.87 10.39 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.523 177.425 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.822 ' HA ' ' HB3' ' B' ' 46' ' ' ALA . 17.2 tt -65.31 -29.68 47.95 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.148 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.956 -177.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -66.51 -57.61 6.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.056 177.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -69.12 -11.0 60.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.763 -178.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.655 ' CD1' ' HA ' ' B' ' 46' ' ' ALA . 67.0 t80 -76.74 -46.26 26.01 Favored 'General case' 0 N--CA 1.439 -0.981 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.277 176.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.594 ' HG ' ' HG3' ' B' ' 27' ' ' ARG . 0.2 OUTLIER -61.77 -38.38 87.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.251 176.704 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.318 -0.772 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.797 -178.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.438 ' O ' ' HA ' ' A' ' 19' ' ' TYR . . . . . . . . 0 N--CA 1.446 -0.652 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.433 HG23 ' CD1' ' A' ' 19' ' ' TYR . 2.0 t -110.63 159.04 10.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 178.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . 0.549 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 3.5 t80 -151.35 118.47 5.91 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -178.38 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . 0.531 ' HA2' ' O ' ' A' ' 16' ' ' PHE . . . -125.19 96.77 0.51 Allowed Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 111.517 -0.633 . . . . 0.0 111.517 -179.168 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . 0.752 HD12 HG23 ' A' ' 40' ' ' THR . 37.1 pt -123.85 166.22 19.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.99 0.424 . . . . 0.0 111.944 -174.422 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . 0.439 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 66.2 m-85 -106.35 95.46 5.78 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.949 175.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' MET . . . . . 0.493 ' HB2' ' HG2' ' A' ' 44' ' ' GLU . 24.0 ptm -107.4 160.12 15.88 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.918 -178.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.13 155.72 10.74 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 121.214 0.53 . . . . 0.0 111.24 -179.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -79.92 -61.53 1.96 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.876 -177.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -46.58 -37.56 8.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.105 0.878 . . . . 0.0 112.03 -176.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . 0.654 HD13 ' CG2' ' A' ' 47' ' ' ILE . 0.5 OUTLIER -76.84 -53.57 7.73 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.87 -178.643 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.434 ' HD2' ' CD1' ' A' ' 16' ' ' PHE . 3.5 ttpm? -59.99 -33.26 71.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.861 0.838 . . . . 0.0 109.698 177.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' THR . . . . . 0.476 ' O ' HG22 ' B' ' 30' ' ' VAL . 41.9 m -75.28 -34.73 61.36 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.435 -1.257 . . . . 0.0 110.829 -178.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . 0.594 ' HG3' ' HG ' ' A' ' 51' ' ' LEU . 15.5 tpp180 -56.8 -50.42 72.4 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.396 0.617 . . . . 0.0 109.783 172.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.749 HD12 ' HB1' ' B' ' 42' ' ' ALA . 3.2 tm? -62.37 -34.78 77.36 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.947 175.425 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.457 ' C ' ' HD3' ' B' ' 29' ' ' LYS . 1.1 tmtp? -57.83 -40.59 80.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.175 0.512 . . . . 0.0 109.916 175.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.476 HG22 ' O ' ' B' ' 26' ' ' THR . 95.8 t -67.04 -33.77 65.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.724 0.773 . . . . 0.0 110.761 177.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' TYR . . . . . 0.438 ' HB3' ' O ' ' B' ' 28' ' ' LEU . 78.2 t80 -65.44 -38.96 91.4 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.862 175.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' CYS . . . . . 0.739 ' HG ' HD13 ' B' ' 28' ' ' LEU . 76.9 m -74.43 -22.99 58.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.954 179.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.1 -38.66 26.91 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.27 0.557 . . . . 0.0 110.118 176.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.574 ' HB2' ' HZ2' ' B' ' 34' ' ' LYS . 4.4 ttmp? -70.22 -43.45 70.61 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.302 -178.236 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . 0.604 ' HB3' HD13 ' B' ' 37' ' ' LEU . 33.8 m-80 -94.8 0.69 55.1 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.287 -178.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 55.9 25.28 8.42 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.185 -173.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.604 HD13 ' HB3' ' B' ' 35' ' ' ASN . 2.4 mp -74.8 166.07 24.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.52 179.431 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -84.16 134.71 34.56 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.611 174.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . 0.508 ' HA ' ' SG ' ' B' ' 32' ' ' CYS . 0.1 OUTLIER -48.54 -50.63 31.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 123.559 0.537 . . . . 0.0 110.743 177.814 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' THR . . . . . 0.728 HG23 HD12 ' A' ' 18' ' ' ILE . 12.9 m -62.66 -48.73 78.06 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.412 -178.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.488 ' NE2' ' HG ' ' B' ' 37' ' ' LEU . 18.4 tt0 -53.41 -40.77 65.35 Favored 'General case' 0 N--CA 1.456 -0.13 0 O-C-N 123.444 0.465 . . . . 0.0 110.437 178.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . 0.749 ' HB1' HD12 ' B' ' 28' ' ' LEU . . . -66.03 -46.11 79.07 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.084 -179.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.521 ' O ' HG23 ' B' ' 47' ' ' ILE . 1.5 mp -56.99 -47.07 84.05 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.182 0 O-C-N 123.114 0.259 . . . . 0.0 110.555 176.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.505 ' HG2' ' HB2' ' A' ' 20' ' ' MET . 43.3 mt-10 -62.01 -44.83 95.88 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.239 -177.482 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -68.4 -30.92 69.95 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 176.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.822 ' HB3' ' HA ' ' A' ' 47' ' ' ILE . . . -65.1 -56.88 10.43 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 121.432 0.634 . . . . 0.0 110.553 177.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.829 ' HA ' ' HB3' ' A' ' 46' ' ' ALA . 17.4 tt -65.31 -29.53 47.5 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.139 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.186 -178.084 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.403 ' HE3' HD22 ' A' ' 24' ' ' LEU . 4.4 tppp? -66.71 -57.47 7.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.034 177.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -69.35 -10.84 59.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.665 -178.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' TYR . . . . . 0.654 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 66.9 t80 -76.7 -46.31 26.06 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.284 176.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.614 ' HG ' ' HG3' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -61.78 -38.49 88.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.14 176.871 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.317 -0.82 0 CA-C-O 121.173 0.511 . . . . 0.0 110.738 -178.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.594 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.457 HG23 ' CD1' ' B' ' 19' ' ' TYR . 2.1 t -108.36 160.89 7.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 179.15 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.535 ' O ' ' HA2' ' B' ' 17' ' ' GLY . 1.4 t80 -149.39 124.47 10.06 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -179.115 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.518 ' HA2' ' O ' ' B' ' 16' ' ' PHE . . . -128.67 93.52 0.35 Allowed Glycine 0 N--CA 1.449 -0.49 0 N-CA-C 111.329 -0.708 . . . . 0.0 111.329 179.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.765 HD12 HG21 ' B' ' 40' ' ' THR . 43.6 pt -123.75 165.83 19.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.969 0.414 . . . . 0.0 111.74 -174.21 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.449 ' CD1' HG23 ' B' ' 15' ' ' VAL . 74.2 m-85 -108.89 93.29 4.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.888 175.131 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.469 ' HB2' ' HG2' ' B' ' 44' ' ' GLU . 24.3 ptm -105.27 157.49 17.27 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.813 -177.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.98 150.09 14.16 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 121.479 0.657 . . . . 0.0 111.185 -179.233 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.72 ' HB2' ' HZ3' ' A' ' 22' ' ' LYS . 3.6 ttmp? -78.88 -59.67 2.69 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.992 -174.318 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -48.89 -36.12 16.39 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 123.93 0.769 . . . . 0.0 111.911 -177.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.625 HD11 HG22 ' B' ' 47' ' ' ILE . 0.2 OUTLIER -72.93 -57.88 3.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.449 178.634 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.46 ' HD2' ' CD1' ' B' ' 16' ' ' PHE . 3.0 ttpm? -58.31 -33.94 70.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.661 0.743 . . . . 0.0 109.959 178.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.496 ' O ' HG21 ' A' ' 30' ' ' VAL . 45.9 m -77.38 -30.83 53.89 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.722 -177.426 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.567 ' HG3' ' HG ' ' B' ' 51' ' ' LEU . 18.4 tpp180 -58.72 -54.01 51.91 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.595 0.712 . . . . 0.0 109.307 172.001 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.766 HD11 ' HG ' ' A' ' 32' ' ' CYS . 3.1 tm? -58.3 -36.34 73.2 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 114.842 -1.072 . . . . 0.0 111.378 174.019 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.444 ' C ' ' HD3' ' A' ' 29' ' ' LYS . 1.3 tmtp? -56.8 -42.68 79.93 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.092 0.472 . . . . 0.0 110.018 176.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.496 HG21 ' O ' ' A' ' 26' ' ' THR . 74.5 t -66.4 -33.54 64.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.389 0.614 . . . . 0.0 110.517 177.349 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.45 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 88.4 t80 -64.58 -37.55 87.93 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.333 -0.848 . . . . 0.0 109.59 175.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.766 ' HG ' HD11 ' A' ' 28' ' ' LEU . 81.3 m -74.88 -24.74 58.6 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.035 177.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.23 -33.57 32.76 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.171 0.51 . . . . 0.0 110.299 178.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -75.24 -43.58 50.85 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.42 -179.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.59 ' HB3' HD11 ' A' ' 37' ' ' LEU . 43.1 m-80 -94.34 1.61 55.87 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.358 -179.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 56.0 23.83 7.12 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.122 -174.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.59 HD11 ' HB3' ' A' ' 35' ' ' ASN . 2.5 mp -72.75 164.28 26.79 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.028 178.664 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.451 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . 47.9 mt-30 -85.03 134.65 34.21 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.268 175.189 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.482 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 0.2 OUTLIER -46.23 -52.78 11.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 123.493 0.495 . . . . 0.0 110.938 177.811 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.79 HG21 HD12 ' B' ' 18' ' ' ILE . 6.4 m -58.8 -49.1 78.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.476 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.471 ' NE2' ' HG ' ' A' ' 37' ' ' LEU . 17.9 tt0 -54.21 -39.43 66.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.699 -179.397 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.737 ' HB1' HD13 ' A' ' 28' ' ' LEU . . . -70.86 -42.75 69.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.991 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.5 mp -57.88 -45.83 87.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.965 0.412 . . . . 0.0 110.388 175.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.48 ' HA ' HG23 ' A' ' 47' ' ' ILE . 46.0 mt-10 -63.29 -44.71 94.28 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.944 -178.415 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -65.35 -35.19 80.21 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 175.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.829 ' HB2' ' HA ' ' B' ' 47' ' ' ILE . . . -63.67 -55.14 25.73 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.608 178.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.811 ' HA ' ' HB2' ' B' ' 46' ' ' ALA . 7.0 tt -70.3 -25.11 26.61 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.18 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.985 -176.027 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.595 ' HE2' HE22 ' A' ' 52' ' ' GLN . 0.6 OUTLIER -71.83 -55.03 8.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.941 178.285 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -69.24 -11.7 61.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.553 -179.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.604 ' CD1' ' HA ' ' B' ' 46' ' ' ALA . 62.6 t80 -77.32 -47.61 19.54 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.785 176.041 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.578 ' HG ' ' HG3' ' B' ' 27' ' ' ARG . 0.2 OUTLIER -59.68 -39.16 83.59 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.041 175.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.595 HE22 ' HE2' ' A' ' 48' ' ' LYS . 1.2 mp0 . . . . . 0 C--N 1.325 -0.497 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.246 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.557 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.449 HG23 ' CD1' ' A' ' 19' ' ' TYR . 2.1 t -108.07 160.4 7.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.113 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . 0.518 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 1.4 t80 -148.97 124.11 10.12 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 -179.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . 0.535 ' HA2' ' O ' ' A' ' 16' ' ' PHE . . . -128.46 93.82 0.36 Allowed Glycine 0 N--CA 1.449 -0.443 0 N-CA-C 111.522 -0.631 . . . . 0.0 111.522 179.297 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . 0.79 HD12 HG21 ' A' ' 40' ' ' THR . 43.7 pt -123.92 165.82 19.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.892 0.377 . . . . 0.0 111.824 -174.265 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . 0.457 ' CD1' HG23 ' A' ' 15' ' ' VAL . 74.0 m-85 -109.07 93.22 4.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.875 175.197 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' MET . . . . . 0.438 ' HB2' ' HG2' ' A' ' 44' ' ' GLU . 24.5 ptm -105.1 157.51 17.2 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.848 -177.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.04 150.11 14.3 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.382 0.611 . . . . 0.0 111.29 -179.338 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.71 ' HZ3' ' HB2' ' B' ' 22' ' ' LYS . 3.5 ttmp? -79.0 -59.64 2.7 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.018 -174.36 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -48.56 -36.26 15.1 Favored 'General case' 0 C--N 1.322 -0.605 0 O-C-N 123.946 0.779 . . . . 0.0 111.85 -177.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . 0.632 HD11 HG22 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -73.06 -57.86 3.73 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.537 178.771 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.463 ' HD2' ' CD1' ' A' ' 16' ' ' PHE . 3.0 ttpm? -58.43 -33.74 70.04 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.641 0.734 . . . . 0.0 110.008 178.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' THR . . . . . 0.497 ' O ' HG21 ' B' ' 30' ' ' VAL . 44.7 m -77.26 -30.98 54.65 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.867 -1.061 . . . . 0.0 110.658 -177.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . 0.578 ' HG3' ' HG ' ' A' ' 51' ' ' LEU . 18.4 tpp180 -58.79 -54.04 51.55 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.508 0.671 . . . . 0.0 109.241 172.241 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.751 ' HG ' HD11 ' A' ' 47' ' ' ILE . 3.1 tm? -58.28 -36.41 73.24 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.419 174.036 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.449 ' C ' ' HD3' ' B' ' 29' ' ' LYS . 1.3 tmtp? -56.7 -42.61 79.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.036 0.446 . . . . 0.0 110.128 176.261 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.497 HG21 ' O ' ' B' ' 26' ' ' THR . 76.9 t -66.41 -33.52 64.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.496 0.665 . . . . 0.0 110.519 177.241 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' TYR . . . . . 0.451 ' HB3' ' O ' ' B' ' 28' ' ' LEU . 88.1 t80 -64.57 -37.71 88.51 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.631 175.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' CYS . . . . . 0.746 ' HG ' HD11 ' B' ' 28' ' ' LEU . 82.4 m -75.05 -24.28 58.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.022 178.178 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.27 -33.9 32.4 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.231 0.539 . . . . 0.0 110.279 178.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -75.02 -43.54 53.08 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.355 -0.838 . . . . 0.0 111.461 -179.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . 0.589 ' HB3' HD11 ' B' ' 37' ' ' LEU . 46.7 m-80 -94.23 1.4 56.01 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.89 0.376 . . . . 0.0 110.26 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 55.75 24.94 7.75 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.955 -174.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.589 HD11 ' HB3' ' B' ' 35' ' ' ASN . 2.5 mp -73.66 164.35 26.77 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.051 178.382 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.468 ' HB2' ' HB2' ' B' ' 41' ' ' GLN . 48.0 mt-30 -84.87 134.85 34.27 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.32 175.147 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . 0.495 ' HA ' ' SG ' ' B' ' 32' ' ' CYS . 0.2 OUTLIER -46.64 -52.58 13.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 123.471 0.482 . . . . 0.0 110.839 178.073 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' THR . . . . . 0.765 HG21 HD12 ' A' ' 18' ' ' ILE . 6.1 m -58.83 -48.81 80.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.533 -179.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.476 ' NE2' ' HG ' ' B' ' 37' ' ' LEU . 18.2 tt0 -54.43 -39.47 67.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.564 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . 0.74 ' HB1' HD13 ' B' ' 28' ' ' LEU . . . -70.93 -42.67 69.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.887 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 1.5 mp -58.18 -45.55 88.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 121.136 0.493 . . . . 0.0 110.451 175.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.469 ' HG2' ' HB2' ' A' ' 20' ' ' MET . 45.2 mt-10 -63.61 -44.46 93.9 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.921 -178.335 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -65.53 -35.15 80.0 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.928 0.395 . . . . 0.0 109.969 175.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.811 ' HB2' ' HA ' ' A' ' 47' ' ' ILE . . . -63.57 -54.95 27.97 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.815 178.475 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.829 ' HA ' ' HB2' ' A' ' 46' ' ' ALA . 6.9 tt -70.43 -25.41 26.93 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.047 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.912 -176.12 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.607 ' HE2' HE22 ' B' ' 52' ' ' GLN . 0.6 OUTLIER -71.72 -54.8 9.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.052 0.453 . . . . 0.0 110.011 178.216 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -69.35 -11.65 60.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.556 -179.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' TYR . . . . . 0.595 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 63.2 t80 -77.46 -47.88 18.55 Favored 'General case' 0 N--CA 1.438 -1.066 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.833 175.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.567 ' HG ' ' HG3' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -59.28 -39.46 82.99 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.067 175.874 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.607 HE22 ' HE2' ' B' ' 48' ' ' LYS . 1.2 mp0 . . . . . 0 C--N 1.325 -0.483 0 CA-C-O 120.813 0.339 . . . . 0.0 111.256 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.428 ' O ' ' HA ' ' B' ' 19' ' ' TYR . . . . . . . . 0 N--CA 1.448 -0.54 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.403 HG21 ' CD1' ' B' ' 19' ' ' TYR . 2.1 t -114.43 159.97 14.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.181 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.524 ' O ' ' HA2' ' B' ' 17' ' ' GLY . 2.3 t80 -149.34 121.6 8.39 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -177.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.513 ' HA2' ' O ' ' B' ' 16' ' ' PHE . . . -126.9 93.54 0.4 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 121.024 -0.608 . . . . 0.0 111.631 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.694 HD13 HG23 ' B' ' 40' ' ' THR . 33.3 pt -122.73 167.26 16.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 120.785 0.326 . . . . 0.0 111.722 -174.258 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.423 ' HA ' ' O ' ' B' ' 14' ' ' ALA . 66.7 m-85 -107.81 93.55 4.6 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.155 176.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.469 ' HE3' ' HB2' ' A' ' 25' ' ' LYS . 26.1 ptm -106.34 158.68 16.7 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.006 -178.162 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -58.2 152.79 16.35 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.308 0.575 . . . . 0.0 111.152 -179.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -78.47 -61.55 1.97 Allowed 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.847 -177.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -47.58 -35.51 9.23 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.092 0.87 . . . . 0.0 112.415 -176.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.678 HD12 ' CG2' ' B' ' 47' ' ' ILE . 0.6 OUTLIER -78.03 -52.55 8.61 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.497 -179.363 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.469 ' HB2' ' HE3' ' A' ' 20' ' ' MET . 3.3 ttpm? -61.42 -33.57 73.92 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.787 0.803 . . . . 0.0 109.967 177.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.41 ' O ' HG21 ' A' ' 30' ' ' VAL . 22.0 m -74.48 -33.96 62.99 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.539 -1.209 . . . . 0.0 110.903 -177.301 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.405 ' HG3' ' HG ' ' B' ' 51' ' ' LEU . 13.8 tpp180 -56.33 -52.25 65.24 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.375 0.607 . . . . 0.0 109.777 171.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.682 ' HG ' HD11 ' B' ' 47' ' ' ILE . 3.3 tm? -61.19 -37.21 82.15 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.963 176.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.452 ' C ' ' HD3' ' A' ' 29' ' ' LYS . 1.3 tmtp? -54.86 -39.49 68.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.073 0.464 . . . . 0.0 110.343 176.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.41 HG21 ' O ' ' A' ' 26' ' ' THR . 78.4 t -69.11 -34.48 63.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.412 0.625 . . . . 0.0 110.784 177.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.495 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 86.1 t80 -62.37 -39.16 92.27 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.678 175.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.565 ' HG ' ' HA ' ' A' ' 39' ' ' LEU . 80.7 m -72.47 -25.6 61.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.405 178.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.11 -38.11 32.28 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 121.212 0.53 . . . . 0.0 110.187 178.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -77.01 -36.41 56.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.859 -176.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.47 ' HB3' HD13 ' A' ' 37' ' ' LEU . 34.1 m-80 -95.01 -1.05 53.17 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.003 0.43 . . . . 0.0 110.162 178.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.2 m120 57.61 25.6 11.85 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.829 -174.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.47 HD13 ' HB3' ' A' ' 35' ' ' ASN . 1.9 mp -76.1 165.47 24.87 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.186 178.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -88.31 135.56 33.4 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.448 174.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.565 ' HA ' ' HG ' ' A' ' 32' ' ' CYS . 0.1 OUTLIER -46.73 -50.86 17.37 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 123.484 0.49 . . . . 0.0 110.732 178.333 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.711 HG23 HD13 ' B' ' 18' ' ' ILE . 5.0 m -60.63 -49.37 77.78 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.503 -179.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.425 ' NE2' ' HG ' ' A' ' 37' ' ' LEU . 24.0 tt0 -55.62 -38.09 69.04 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.939 0.4 . . . . 0.0 110.515 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.682 ' HB1' HD13 ' A' ' 28' ' ' LEU . . . -67.61 -45.55 75.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.172 179.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.475 ' O ' HG21 ' A' ' 47' ' ' ILE . 1.5 mp -57.53 -46.43 86.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.828 0.347 . . . . 0.0 110.473 175.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.423 ' HA ' HG21 ' A' ' 47' ' ' ILE . 46.8 mt-10 -62.38 -43.52 98.62 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.027 -178.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -63.05 -38.9 93.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.059 0.457 . . . . 0.0 109.979 173.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.769 ' HB3' ' HA ' ' B' ' 47' ' ' ILE . . . -62.23 -54.97 33.14 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.761 -179.304 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.767 ' HA ' ' HB3' ' B' ' 46' ' ' ALA . 19.9 tt -69.8 -23.83 26.15 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.148 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.292 -177.192 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.753 ' HE2' HE22 ' A' ' 52' ' ' GLN . 0.6 OUTLIER -71.98 -60.61 2.14 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 177.186 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.42 -21.46 25.33 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.644 175.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.651 ' CD1' ' HA ' ' B' ' 46' ' ' ALA . 60.4 t80 -70.51 -51.93 25.37 Favored 'General case' 0 N--CA 1.439 -1.024 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.618 -177.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.466 HD22 ' HB2' ' B' ' 28' ' ' LEU . 0.2 OUTLIER -58.42 -37.14 74.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.146 178.569 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.753 HE22 ' HE2' ' A' ' 48' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--N 1.323 -0.583 0 C-N-CA 120.473 -0.491 . . . . 0.0 111.417 -178.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.423 ' O ' ' HA ' ' A' ' 19' ' ' TYR . . . . . . . . 0 N--CA 1.45 -0.472 0 N-CA-C 108.687 -0.856 . . . . 0.0 108.687 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.403 HG21 ' CD1' ' A' ' 19' ' ' TYR . 2.1 t -114.7 159.54 14.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.24 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . 0.513 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 2.3 t80 -148.94 121.71 8.68 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -177.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . 0.524 ' HA2' ' O ' ' A' ' 16' ' ' PHE . . . -127.13 93.14 0.39 Allowed Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.926 -0.654 . . . . 0.0 111.666 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . 0.711 HD13 HG23 ' A' ' 40' ' ' THR . 33.0 pt -122.33 167.29 16.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.855 0.36 . . . . 0.0 111.685 -173.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . 0.428 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 66.8 m-85 -107.91 93.49 4.56 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.057 177.182 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' MET . . . . . 0.451 ' HE3' ' HB2' ' B' ' 25' ' ' LYS . 26.1 ptm -106.37 158.91 16.54 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.027 -178.09 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -58.46 152.58 17.65 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.114 0.483 . . . . 0.0 111.082 -179.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -78.4 -61.73 1.91 Allowed 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 115.707 -0.678 . . . . 0.0 109.885 -177.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -47.2 -35.73 7.88 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 124.036 0.835 . . . . 0.0 112.412 -176.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . 0.66 HD12 ' CG2' ' A' ' 47' ' ' ILE . 0.6 OUTLIER -77.84 -52.66 8.52 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.435 -179.245 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.451 ' HB2' ' HE3' ' B' ' 20' ' ' MET . 3.3 ttpm? -61.35 -33.5 73.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.618 0.723 . . . . 0.0 109.955 177.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' THR . . . . . 0.415 ' O ' HG21 ' B' ' 30' ' ' VAL . 22.5 m -74.82 -33.46 62.2 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.76 -1.109 . . . . 0.0 110.818 -177.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . 0.431 ' HG3' ' HG ' ' A' ' 51' ' ' LEU . 13.7 tpp180 -56.87 -51.91 67.2 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.346 0.593 . . . . 0.0 109.606 171.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.683 HD13 ' HB1' ' B' ' 42' ' ' ALA . 3.3 tm? -61.44 -37.02 82.02 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.153 -0.931 . . . . 0.0 111.052 176.329 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.46 ' C ' ' HD3' ' B' ' 29' ' ' LYS . 1.3 tmtp? -55.09 -39.21 69.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.074 0.464 . . . . 0.0 110.504 177.046 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.415 HG21 ' O ' ' B' ' 26' ' ' THR . 80.4 t -69.33 -34.6 63.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.534 0.683 . . . . 0.0 110.75 177.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' TYR . . . . . 0.491 ' HB3' ' O ' ' B' ' 28' ' ' LEU . 85.6 t80 -62.09 -39.44 92.47 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.691 175.4 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' CYS . . . . . 0.576 ' HG ' ' HA ' ' B' ' 39' ' ' LEU . 82.3 m -72.21 -25.87 61.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.233 178.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.81 -38.13 33.64 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 121.424 0.63 . . . . 0.0 110.285 178.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -77.03 -36.76 55.94 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.778 -177.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . 0.474 ' HB3' HD13 ' B' ' 37' ' ' LEU . 35.4 m-80 -94.86 -0.56 53.94 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.358 178.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 18.5 m120 57.39 25.17 10.99 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.821 -174.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.474 HD13 ' HB3' ' B' ' 35' ' ' ASN . 2.0 mp -75.84 165.31 25.19 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.213 178.562 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -88.4 135.45 33.46 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.423 174.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . 0.576 ' HA ' ' HG ' ' B' ' 32' ' ' CYS . 0.1 OUTLIER -46.38 -50.94 15.87 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 123.515 0.509 . . . . 0.0 110.814 178.296 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' THR . . . . . 0.694 HG23 HD13 ' A' ' 18' ' ' ILE . 5.3 m -60.65 -49.33 77.94 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.443 -179.186 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.439 ' NE2' ' HG ' ' B' ' 37' ' ' LEU . 24.0 tt0 -55.61 -38.0 68.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.918 0.389 . . . . 0.0 110.466 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . 0.683 ' HB1' HD13 ' B' ' 28' ' ' LEU . . . -67.72 -45.68 74.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.079 179.362 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.48 ' O ' HG21 ' B' ' 47' ' ' ILE . 1.5 mp -57.44 -46.4 85.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 120.866 0.365 . . . . 0.0 110.465 175.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.428 ' HG2' ' HB2' ' A' ' 20' ' ' MET . 47.2 mt-10 -62.66 -43.21 99.39 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.028 -178.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -63.29 -38.89 92.93 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.049 0.452 . . . . 0.0 109.967 173.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.767 ' HB3' ' HA ' ' A' ' 47' ' ' ILE . . . -62.24 -55.0 32.72 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.777 -179.393 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.769 ' HA ' ' HB3' ' A' ' 46' ' ' ALA . 20.0 tt -69.69 -23.89 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.128 0 CA-C-N 115.349 -0.842 . . . . 0.0 111.325 -177.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.745 ' HE2' HE22 ' B' ' 52' ' ' GLN . 0.5 OUTLIER -71.91 -60.46 2.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.137 177.049 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.7 -21.3 26.83 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.703 175.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' TYR . . . . . 0.647 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 60.4 t80 -70.6 -51.92 24.96 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.748 -178.266 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.454 HD22 ' HB2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -58.34 -37.06 74.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.134 178.439 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.745 HE22 ' HE2' ' B' ' 48' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--N 1.323 -0.554 0 C-N-CA 120.589 -0.445 . . . . 0.0 111.461 -178.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.421 ' O ' ' HA ' ' B' ' 19' ' ' TYR . . . . . . . . 0 N--CA 1.447 -0.615 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.441 HG21 ' CD1' ' B' ' 19' ' ' TYR . 2.2 t -109.19 161.27 7.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 177.093 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.604 ' O ' ' HA2' ' B' ' 17' ' ' GLY . 2.7 t80 -152.82 120.31 5.97 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -178.17 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.602 ' HA2' ' O ' ' B' ' 16' ' ' PHE . . . -126.81 96.57 0.46 Allowed Glycine 0 N--CA 1.451 -0.362 0 O-C-N 123.605 0.566 . . . . 0.0 111.704 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.738 HD11 HG22 ' B' ' 40' ' ' THR . 36.2 pt -124.78 169.23 16.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -174.155 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.449 ' CD1' HG21 ' B' ' 15' ' ' VAL . 75.5 m-85 -108.84 96.47 6.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.275 177.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.436 ' HB2' ' HG2' ' B' ' 44' ' ' GLU . 23.7 ptm -110.77 156.21 21.41 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.991 -177.431 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -59.68 153.8 19.36 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.203 0.525 . . . . 0.0 111.826 -176.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -77.17 -60.88 2.18 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.394 -174.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -50.67 -34.48 26.7 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 123.754 0.658 . . . . 0.0 111.638 -176.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.627 HD11 ' CG2' ' B' ' 47' ' ' ILE . 0.5 OUTLIER -76.16 -56.11 4.95 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.811 -179.784 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.404 ' N ' HD12 ' A' ' 24' ' ' LEU . 3.0 ttpm? -60.14 -31.81 70.43 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.809 0.814 . . . . 0.0 109.558 178.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.482 ' O ' HG22 ' A' ' 30' ' ' VAL . 95.0 m -78.81 -32.71 46.41 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.563 -1.198 . . . . 0.0 110.726 -177.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.581 ' HG3' ' HG ' ' B' ' 51' ' ' LEU . 13.2 tpp180 -56.9 -50.29 72.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.467 0.651 . . . . 0.0 109.58 171.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.749 HD13 ' HG ' ' A' ' 32' ' ' CYS . 3.2 tm? -63.13 -34.53 77.81 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.836 175.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.449 ' C ' ' HD3' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -57.54 -40.76 79.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.964 0.411 . . . . 0.0 110.085 175.657 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 26' ' ' THR . 85.0 t -67.39 -33.66 63.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.56 0.695 . . . . 0.0 110.724 177.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.403 ' HB3' HD21 ' A' ' 28' ' ' LEU . 69.2 t80 -65.03 -38.81 92.09 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.854 175.373 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.749 ' HG ' HD13 ' A' ' 28' ' ' LEU . 69.6 m -75.65 -21.36 57.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.764 178.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.08 -35.66 31.41 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.135 0.493 . . . . 0.0 110.152 176.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.551 ' HZ3' ' HB2' ' A' ' 34' ' ' LYS . 4.2 ttmp? -70.65 -46.74 62.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.318 -179.067 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.43 ' HB3' HD13 ' A' ' 37' ' ' LEU . 39.1 m-80 -94.2 1.27 56.06 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.255 -178.316 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 57.32 22.72 8.07 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.903 -174.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.435 ' HG ' ' NE2' ' A' ' 41' ' ' GLN . 1.4 mp -70.2 166.4 20.08 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.358 0.599 . . . . 0.0 111.512 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -87.58 132.69 33.98 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.418 175.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.469 HD13 ' CZ ' ' B' ' 16' ' ' PHE . 0.1 OUTLIER -45.72 -49.94 14.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 123.678 0.611 . . . . 0.0 111.063 179.668 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.748 HG22 HD11 ' B' ' 18' ' ' ILE . 7.0 m -61.24 -48.87 79.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.579 -178.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.435 ' NE2' ' HG ' ' A' ' 37' ' ' LEU . 25.2 tt0 -55.83 -37.84 69.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.084 0.469 . . . . 0.0 110.567 -179.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.701 ' HB1' HD12 ' A' ' 28' ' ' LEU . . . -68.5 -45.54 72.05 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.049 179.108 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.483 ' O ' HG22 ' A' ' 47' ' ' ILE . 1.5 mp -57.2 -46.94 84.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.736 0.303 . . . . 0.0 110.505 176.344 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.444 ' HG2' ' HB2' ' B' ' 20' ' ' MET . 45.5 mt-10 -62.37 -44.99 95.17 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.968 -177.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -65.04 -33.84 77.0 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.859 0.361 . . . . 0.0 110.221 175.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.773 ' HB2' ' HA ' ' B' ' 47' ' ' ILE . . . -64.15 -56.13 16.92 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.594 178.458 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.763 ' HA ' ' HB2' ' B' ' 46' ' ' ALA . 19.1 tt -66.36 -30.06 48.63 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.029 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.355 -178.006 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.519 ' HD3' HE22 ' A' ' 52' ' ' GLN . 14.0 tppt? -67.75 -55.4 13.22 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.074 178.251 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -70.23 -11.71 61.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.778 0.323 . . . . 0.0 110.778 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.638 ' CD1' ' HA ' ' B' ' 46' ' ' ALA . 60.7 t80 -76.88 -45.92 26.43 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.084 177.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.577 ' HG ' ' HG3' ' B' ' 27' ' ' ARG . 0.2 OUTLIER -60.87 -37.81 83.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.398 177.101 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.519 HE22 ' HD3' ' A' ' 48' ' ' LYS . 1.1 mp0 . . . . . 0 C--N 1.322 -0.588 0 C-N-CA 120.305 -0.558 . . . . 0.0 111.227 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.411 ' O ' ' HA ' ' A' ' 19' ' ' TYR . . . . . . . . 0 N--CA 1.446 -0.637 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.449 HG21 ' CD1' ' A' ' 19' ' ' TYR . 2.3 t -109.64 161.38 8.04 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 177.365 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . 0.602 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 2.8 t80 -152.89 120.24 5.91 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 -178.225 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . 0.604 ' HA2' ' O ' ' A' ' 16' ' ' PHE . . . -126.85 96.37 0.45 Allowed Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 111.572 -0.611 . . . . 0.0 111.572 -179.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . 0.748 HD11 HG22 ' A' ' 40' ' ' THR . 35.8 pt -124.42 169.28 15.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.92 0.39 . . . . 0.0 111.916 -174.324 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . 0.441 ' CD1' HG21 ' A' ' 15' ' ' VAL . 75.5 m-85 -108.79 96.37 6.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.22 177.689 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' MET . . . . . 0.444 ' HB2' ' HG2' ' A' ' 44' ' ' GLU . 23.9 ptm -110.59 156.21 21.26 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.828 -177.265 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -59.4 153.94 18.03 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.311 0.577 . . . . 0.0 111.805 -176.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -77.35 -60.69 2.26 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.565 -174.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -50.44 -34.99 26.65 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 123.793 0.683 . . . . 0.0 111.594 -176.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . 0.619 HD11 ' CG2' ' A' ' 47' ' ' ILE . 0.5 OUTLIER -76.0 -55.89 5.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.854 -179.521 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.41 ' N ' HD12 ' B' ' 24' ' ' LEU . 3.0 ttpm? -60.37 -31.9 70.78 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.793 0.806 . . . . 0.0 109.537 178.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' THR . . . . . 0.494 ' O ' HG22 ' B' ' 30' ' ' VAL . 97.5 m -78.44 -32.75 48.67 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.503 -1.226 . . . . 0.0 110.627 -177.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . 0.577 ' HG3' ' HG ' ' A' ' 51' ' ' LEU . 13.2 tpp180 -57.31 -50.13 73.91 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.344 0.592 . . . . 0.0 109.486 172.082 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.749 HD13 ' HG ' ' B' ' 32' ' ' CYS . 3.1 tm? -63.16 -34.53 77.83 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.91 175.174 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.449 ' C ' ' HD3' ' B' ' 29' ' ' LYS . 0.9 OUTLIER -57.5 -40.92 79.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.092 0.472 . . . . 0.0 109.948 175.611 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.494 HG22 ' O ' ' B' ' 26' ' ' THR . 86.6 t -67.37 -33.8 64.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.463 0.649 . . . . 0.0 110.688 178.047 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -64.89 -38.78 92.11 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.884 175.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' CYS . . . . . 0.749 ' HG ' HD13 ' B' ' 28' ' ' LEU . 69.3 m -75.34 -21.87 58.05 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.68 178.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.45 -36.05 34.1 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.168 0.508 . . . . 0.0 110.011 176.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.552 ' HZ3' ' HB2' ' B' ' 34' ' ' LYS . 4.2 ttmp? -70.38 -46.8 63.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.404 -178.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . 0.429 ' HB3' HD13 ' B' ' 37' ' ' LEU . 37.9 m-80 -94.37 1.3 55.87 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.298 -178.17 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 59.9 m-80 57.84 22.15 8.29 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.97 -175.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.429 HD13 ' HB3' ' B' ' 35' ' ' ASN . 1.4 mp -70.07 165.82 21.09 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.463 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -87.33 132.71 33.85 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.533 175.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . 0.454 HD13 ' CZ ' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -45.66 -50.25 13.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 123.727 0.642 . . . . 0.0 111.049 179.717 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' THR . . . . . 0.738 HG22 HD11 ' A' ' 18' ' ' ILE . 6.9 m -60.91 -49.04 79.08 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.642 -178.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.416 ' NE2' ' HG ' ' B' ' 37' ' ' LEU . 25.4 tt0 -55.87 -37.93 69.44 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.431 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . 0.705 ' HB1' HD12 ' B' ' 28' ' ' LEU . . . -68.35 -45.69 72.15 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.043 179.043 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.488 ' O ' HG22 ' B' ' 47' ' ' ILE . 1.5 mp -57.01 -47.21 83.89 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.153 0 CA-C-O 120.787 0.327 . . . . 0.0 110.536 176.184 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.436 ' HG2' ' HB2' ' A' ' 20' ' ' MET . 44.9 mt-10 -62.13 -45.0 95.38 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.111 -177.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -65.06 -33.96 77.28 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 175.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.763 ' HB2' ' HA ' ' A' ' 47' ' ' ILE . . . -64.03 -56.27 16.24 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.563 178.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.773 ' HA ' ' HB2' ' A' ' 46' ' ' ALA . 19.1 tt -66.22 -30.16 49.01 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.067 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.224 -177.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.498 ' CD ' HE22 ' B' ' 52' ' ' GLN . 14.0 tppt? -67.85 -55.46 12.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.995 178.462 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -70.08 -11.77 61.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.815 0.34 . . . . 0.0 110.797 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' TYR . . . . . 0.622 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 61.0 t80 -76.87 -45.94 26.41 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.168 178.116 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.581 ' HG ' ' HG3' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -60.93 -37.64 83.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.493 176.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.498 HE22 ' CD ' ' B' ' 48' ' ' LYS . 1.1 mp0 . . . . . 0 C--N 1.324 -0.518 0 C-N-CA 120.198 -0.601 . . . . 0.0 111.433 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.48 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.426 HG22 ' CD1' ' B' ' 19' ' ' TYR . 2.5 t -109.51 162.94 6.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.508 ' O ' ' HA2' ' B' ' 17' ' ' GLY . 3.2 t80 -151.83 121.11 6.77 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.518 ' HA2' ' O ' ' B' ' 16' ' ' PHE . . . -128.46 95.89 0.4 Allowed Glycine 0 N--CA 1.45 -0.406 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 -179.044 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.744 HD13 HG23 ' B' ' 40' ' ' THR . 41.8 pt -124.92 173.34 11.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.931 0.396 . . . . 0.0 111.475 -173.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.446 ' CD1' HG22 ' B' ' 15' ' ' VAL . 79.7 m-85 -117.07 101.45 8.49 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.097 179.184 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 22.0 ptm -115.27 158.04 22.91 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.306 -175.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.56 157.95 6.42 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.123 0.487 . . . . 0.0 111.867 -178.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.0 tttm -76.66 -65.16 0.97 Allowed 'General case' 0 C--O 1.214 -0.772 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.207 -178.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -46.3 -39.12 9.58 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.911 0.757 . . . . 0.0 112.157 -174.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.676 HD11 ' CG2' ' B' ' 47' ' ' ILE . 0.8 OUTLIER -71.3 -55.98 6.94 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.792 179.659 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.43 ' N ' HD12 ' A' ' 24' ' ' LEU . 3.8 ttpm? -61.5 -32.55 72.58 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 121.809 0.814 . . . . 0.0 109.906 178.468 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.452 ' O ' HG22 ' A' ' 30' ' ' VAL . 54.0 m -74.27 -37.72 63.63 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.666 -1.152 . . . . 0.0 110.773 -177.126 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.701 ' HG3' ' HG ' ' B' ' 51' ' ' LEU . 15.9 tpp180 -56.25 -50.48 71.2 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.691 173.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.693 HD11 ' HB2' ' A' ' 42' ' ' ALA . 3.0 tm? -61.84 -36.59 81.63 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.068 175.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.497 ' C ' ' HD3' ' A' ' 29' ' ' LYS . 0.7 OUTLIER -57.67 -40.34 79.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.123 0.487 . . . . 0.0 110.003 176.091 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.452 HG22 ' O ' ' A' ' 26' ' ' THR . 85.5 t -69.49 -32.43 52.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.608 0.718 . . . . 0.0 110.86 177.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.407 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 85.2 t80 -64.83 -38.55 91.37 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.7 174.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.675 ' HG ' HD12 ' A' ' 28' ' ' LEU . 69.2 m -74.86 -16.98 60.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.654 177.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.17 -34.53 20.5 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.21 0.529 . . . . 0.0 110.055 176.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.545 ' HZ3' ' HB2' ' A' ' 34' ' ' LYS . 4.2 ttmp? -72.74 -46.11 55.2 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.244 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -94.16 3.46 55.24 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.207 -178.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 53.53 25.28 4.66 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.328 -173.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 mp -72.64 164.45 26.46 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.361 0.6 . . . . 0.0 111.512 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -86.24 134.3 33.78 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.407 174.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.482 HD12 ' CZ ' ' B' ' 16' ' ' PHE . 0.2 OUTLIER -46.24 -50.48 15.89 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 123.657 0.598 . . . . 0.0 111.044 178.019 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.753 HG23 HD13 ' B' ' 18' ' ' ILE . 17.3 m -61.95 -47.85 83.0 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.095 -178.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -56.92 -37.6 71.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.544 179.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.693 ' HB2' HD11 ' A' ' 28' ' ' LEU . . . -68.5 -45.97 70.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.192 178.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.508 ' O ' HG22 ' A' ' 47' ' ' ILE . 1.5 mp -56.4 -46.64 82.05 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.185 0 CA-C-O 120.656 0.265 . . . . 0.0 110.34 176.303 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.465 ' HA ' HG22 ' A' ' 47' ' ' ILE . 45.6 mt-10 -62.17 -42.17 99.01 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.973 -179.2 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -62.42 -41.63 98.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.191 0.519 . . . . 0.0 109.895 173.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.752 ' HB2' ' HA ' ' B' ' 47' ' ' ILE . . . -61.3 -54.27 46.09 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.751 -178.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.762 ' HA ' ' HB2' ' B' ' 46' ' ' ALA . 20.3 tt -69.79 -24.87 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.17 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.022 -177.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.655 ' HE2' HE22 ' A' ' 52' ' ' GLN . 1.5 tpmt? -70.88 -61.04 1.91 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.123 177.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.07 -22.48 50.49 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.161 177.602 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.623 ' CD1' ' HA ' ' B' ' 46' ' ' ALA . 55.4 t80 -69.35 -51.48 36.49 Favored 'General case' 0 N--CA 1.439 -1.008 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.625 -178.376 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.668 ' HG ' ' HG3' ' B' ' 27' ' ' ARG . 0.2 OUTLIER -60.21 -35.56 75.68 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.314 178.085 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.655 HE22 ' HE2' ' A' ' 48' ' ' LYS . 1.8 mp0 . . . . . 0 C--N 1.323 -0.545 0 C-N-CA 120.688 -0.405 . . . . 0.0 111.153 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.531 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.446 HG22 ' CD1' ' A' ' 19' ' ' TYR . 2.5 t -109.56 163.04 6.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 179.533 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . 0.518 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 3.2 t80 -151.99 121.14 6.71 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . 0.508 ' HA2' ' O ' ' A' ' 16' ' ' PHE . . . -128.19 96.13 0.41 Allowed Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 111.431 -0.668 . . . . 0.0 111.431 -179.143 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . 0.753 HD13 HG23 ' A' ' 40' ' ' THR . 42.2 pt -125.01 173.36 11.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.984 0.421 . . . . 0.0 111.39 -173.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . 0.426 ' CD1' HG22 ' A' ' 15' ' ' VAL . 79.4 m-85 -117.13 101.66 8.65 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.077 178.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 22.0 ptm -115.15 158.07 22.74 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.342 -176.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.92 158.17 6.88 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.162 0.506 . . . . 0.0 111.809 -178.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -76.81 -64.89 1.02 Allowed 'General case' 0 C--O 1.215 -0.742 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.237 -178.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -46.55 -39.05 10.3 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 123.939 0.775 . . . . 0.0 111.968 -174.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . 0.659 HD11 ' CG2' ' A' ' 47' ' ' ILE . 0.8 OUTLIER -71.37 -55.58 7.69 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.798 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.434 ' N ' HD12 ' B' ' 24' ' ' LEU . 3.9 ttpm? -61.88 -32.25 72.6 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 121.724 0.773 . . . . 0.0 109.894 178.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' THR . . . . . 0.447 ' O ' HG22 ' B' ' 30' ' ' VAL . 54.8 m -74.59 -37.89 62.76 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.678 -1.146 . . . . 0.0 110.537 -177.068 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . 0.668 ' HG3' ' HG ' ' A' ' 51' ' ' LEU . 15.9 tpp180 -55.84 -50.94 69.19 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.631 173.502 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.699 HD11 ' HB2' ' B' ' 42' ' ' ALA . 3.0 tm? -61.7 -36.35 80.66 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.162 175.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.497 ' C ' ' HD3' ' B' ' 29' ' ' LYS . 0.7 OUTLIER -57.63 -40.59 79.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.088 0.471 . . . . 0.0 109.953 175.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.447 HG22 ' O ' ' B' ' 26' ' ' THR . 84.8 t -69.28 -32.85 55.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.716 177.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' TYR . . . . . 0.406 ' HB3' ' O ' ' B' ' 28' ' ' LEU . 84.6 t80 -64.5 -38.82 92.34 Favored 'General case' 0 C--N 1.313 -1.022 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.557 174.449 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' CYS . . . . . 0.672 ' HG ' HD12 ' B' ' 28' ' ' LEU . 70.7 m -74.68 -17.2 60.71 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.705 178.135 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.13 -34.36 20.62 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.335 0.588 . . . . 0.0 109.978 176.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.541 ' HZ3' ' HB2' ' B' ' 34' ' ' LYS . 4.2 ttmp? -72.67 -46.33 54.43 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.113 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -94.16 3.37 55.38 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.201 -178.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 53.55 25.79 5.11 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.16 -174.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 mp -72.97 164.77 26.19 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-O 121.338 0.59 . . . . 0.0 111.489 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -86.71 134.61 33.58 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.118 -0.946 . . . . 0.0 109.214 174.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . 0.479 HD12 ' CZ ' ' A' ' 16' ' ' PHE . 0.2 OUTLIER -46.53 -50.41 17.23 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 123.602 0.564 . . . . 0.0 111.019 178.036 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' THR . . . . . 0.744 HG23 HD13 ' A' ' 18' ' ' ILE . 18.0 m -61.93 -47.64 84.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.227 -179.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -57.16 -37.51 72.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.448 179.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . 0.699 ' HB2' HD11 ' B' ' 28' ' ' LEU . . . -68.57 -45.93 70.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.132 178.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.507 ' O ' HG22 ' B' ' 47' ' ' ILE . 1.5 mp -56.63 -46.25 82.74 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.261 0 CA-C-O 120.708 0.289 . . . . 0.0 110.318 176.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.452 ' HA ' HG22 ' B' ' 47' ' ' ILE . 47.1 mt-10 -62.41 -42.0 99.1 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.052 -179.183 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -62.45 -41.61 98.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.339 0.59 . . . . 0.0 109.768 173.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.762 ' HB2' ' HA ' ' A' ' 47' ' ' ILE . . . -61.24 -54.33 45.57 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.707 -178.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.752 ' HA ' ' HB2' ' A' ' 46' ' ' ALA . 20.4 tt -69.62 -24.95 27.68 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.206 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.028 -177.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.665 ' HE2' HE22 ' B' ' 52' ' ' GLN . 1.5 tpmt? -71.01 -60.78 2.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.292 177.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.29 -22.42 52.75 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 177.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' TYR . . . . . 0.628 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 55.9 t80 -69.34 -51.6 35.35 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.571 -178.431 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.701 ' HG ' ' HG3' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -60.51 -34.75 74.53 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.551 178.023 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.665 HE22 ' HE2' ' B' ' 48' ' ' LYS . 1.8 mp0 . . . . . 0 C--N 1.323 -0.586 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.094 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.687 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.415 HG23 ' CD1' ' B' ' 19' ' ' TYR . 2.2 t -102.28 160.28 4.17 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 -178.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.537 ' O ' ' HA2' ' B' ' 17' ' ' GLY . 2.3 t80 -146.85 123.27 11.01 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.454 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.521 ' HA2' ' O ' ' B' ' 16' ' ' PHE . . . -131.43 90.95 0.28 Allowed Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.527 -177.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.719 HD11 HG21 ' B' ' 40' ' ' THR . 47.3 pt -122.51 162.99 21.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.844 0.354 . . . . 0.0 111.413 -174.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.448 ' CD1' HG23 ' B' ' 15' ' ' VAL . 63.8 m-85 -108.28 94.47 5.08 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.839 -0.618 . . . . 0.0 109.968 175.087 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.788 ' SD ' ' HB2' ' A' ' 25' ' ' LYS . 1.8 ptp -98.87 178.81 4.84 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.879 177.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.7 158.18 35.15 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 121.206 0.527 . . . . 0.0 110.932 176.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.0 tttm -78.91 -59.11 2.91 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.583 -177.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -47.6 -38.83 15.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.03 0.831 . . . . 0.0 111.873 -175.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.649 HD11 HG23 ' B' ' 47' ' ' ILE . 0.9 OUTLIER -73.78 -59.02 2.91 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.751 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.788 ' HB2' ' SD ' ' A' ' 20' ' ' MET . 3.1 ttpm? -51.85 -38.15 54.85 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.965 0.888 . . . . 0.0 109.732 176.217 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.462 ' O ' HG22 ' A' ' 30' ' ' VAL . 98.8 m -75.89 -32.12 59.53 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.09 -1.414 . . . . 0.0 110.904 -175.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.491 ' HG3' ' HG ' ' B' ' 51' ' ' LEU . 17.7 tpp180 -57.95 -53.76 54.63 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.28 172.053 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.715 HD12 ' HB1' ' A' ' 42' ' ' ALA . 3.0 tm? -60.1 -36.16 76.82 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.325 174.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.408 ' C ' ' HD3' ' A' ' 29' ' ' LYS . 13.6 tmtt? -56.05 -45.14 79.35 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.117 0.484 . . . . 0.0 110.579 176.267 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.462 HG22 ' O ' ' A' ' 26' ' ' THR . 90.6 t -66.67 -34.02 67.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.482 0.658 . . . . 0.0 110.655 179.13 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.402 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 91.3 t80 -63.1 -39.06 93.59 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.697 174.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.712 ' HG ' HD13 ' A' ' 28' ' ' LEU . 71.9 m -69.16 -36.62 77.58 Favored 'General case' 0 C--O 1.216 -0.687 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.725 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.85 -37.93 73.15 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 121.325 0.583 . . . . 0.0 110.563 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -71.96 -37.99 69.85 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.66 -177.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.539 ' HB3' HD13 ' A' ' 37' ' ' LEU . 34.8 m-80 -96.09 -1.35 48.83 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.585 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 60.92 24.24 14.28 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.61 -174.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.539 HD13 ' HB3' ' A' ' 35' ' ' ASN . 2.6 mp -75.93 163.66 26.97 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.034 178.051 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -91.66 134.1 34.99 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.372 176.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.437 HD13 ' CZ ' ' B' ' 16' ' ' PHE . 0.2 OUTLIER -45.3 -51.5 10.9 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 123.496 0.498 . . . . 0.0 111.3 178.621 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.722 HG21 HD11 ' B' ' 18' ' ' ILE . 14.5 m -60.15 -47.73 84.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.017 -179.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.438 ' NE2' ' HG ' ' A' ' 37' ' ' LEU . 18.3 tt0 -56.6 -38.78 72.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.264 179.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.715 ' HB1' HD12 ' A' ' 28' ' ' LEU . . . -69.73 -44.24 70.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.162 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.468 HG22 HD12 ' B' ' 18' ' ' ILE . 1.5 mp -58.34 -46.22 89.23 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.362 0 CA-C-O 120.535 0.207 . . . . 0.0 110.518 175.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.574 ' HG2' ' HB2' ' B' ' 20' ' ' MET . 46.9 mt-10 -61.15 -44.55 97.14 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.668 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -61.16 -40.91 95.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.007 0.432 . . . . 0.0 109.893 174.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.736 ' HB2' ' HA ' ' B' ' 47' ' ' ILE . . . -63.1 -54.09 43.41 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.623 -179.027 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.727 ' HA ' ' HB2' ' B' ' 46' ' ' ALA . 21.1 tt -69.46 -27.0 32.49 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.987 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.073 -177.408 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.732 ' HE2' HE22 ' A' ' 52' ' ' GLN . 0.6 OUTLIER -70.79 -56.39 6.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.894 0.378 . . . . 0.0 110.454 179.15 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -72.76 -9.1 58.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.826 -177.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.613 ' CD1' ' HA ' ' B' ' 46' ' ' ALA . 66.9 t80 -76.15 -45.3 34.21 Favored 'General case' 0 N--CA 1.434 -1.235 0 CA-C-N 116.114 -0.493 . . . . 0.0 109.854 176.216 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.471 ' HG ' ' HG3' ' B' ' 27' ' ' ARG . 0.2 OUTLIER -60.6 -38.41 84.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.169 175.534 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.732 HE22 ' HE2' ' A' ' 48' ' ' LYS . 1.2 mp0 . . . . . 0 C--N 1.325 -0.477 0 C-N-CA 120.6 -0.44 . . . . 0.0 111.522 -179.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.682 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.448 HG23 ' CD1' ' A' ' 19' ' ' TYR . 2.2 t -102.12 160.07 4.16 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.054 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 -178.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . 0.521 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 2.3 t80 -146.7 123.21 11.07 Favored 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.251 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . 0.537 ' HA2' ' O ' ' A' ' 16' ' ' PHE . . . -130.95 90.99 0.29 Allowed Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.995 -0.621 . . . . 0.0 111.616 -178.093 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . 0.722 HD11 HG21 ' A' ' 40' ' ' THR . 47.5 pt -122.48 163.06 21.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 120.737 0.303 . . . . 0.0 111.352 -174.346 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . 0.415 ' CD1' HG23 ' A' ' 15' ' ' VAL . 64.1 m-85 -108.26 95.06 5.41 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.898 174.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' MET . . . . . 0.777 ' SD ' ' HB2' ' B' ' 25' ' ' LYS . 1.7 ptp -99.33 178.87 4.76 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.812 177.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.65 158.07 35.42 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-O 121.148 0.499 . . . . 0.0 110.778 177.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 51.2 tttm -78.73 -59.43 2.78 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.63 -177.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -47.47 -38.67 14.18 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.023 0.827 . . . . 0.0 111.905 -175.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . 0.661 HD21 ' SD ' ' B' ' 20' ' ' MET . 0.9 OUTLIER -73.97 -58.93 2.97 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.738 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.777 ' HB2' ' SD ' ' B' ' 20' ' ' MET . 3.1 ttpm? -51.86 -38.42 55.9 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.936 0.874 . . . . 0.0 109.731 176.036 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' THR . . . . . 0.454 ' O ' HG22 ' B' ' 30' ' ' VAL . 99.2 m -75.5 -32.17 60.45 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.093 -1.412 . . . . 0.0 110.82 -175.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . 0.471 ' HG3' ' HG ' ' A' ' 51' ' ' LEU . 17.8 tpp180 -58.04 -53.82 53.92 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 172.151 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.728 HD13 ' HG ' ' B' ' 32' ' ' CYS . 3.0 tm? -60.21 -35.85 76.33 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.407 174.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.4 ' HD3' ' C ' ' B' ' 29' ' ' LYS . 13.6 tmtt? -56.26 -45.0 80.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.11 0.481 . . . . 0.0 110.517 176.2 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.454 HG22 ' O ' ' B' ' 26' ' ' THR . 93.4 t -66.79 -34.15 68.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.418 0.628 . . . . 0.0 110.599 179.166 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -62.89 -39.01 93.2 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.765 174.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' CYS . . . . . 0.728 ' HG ' HD13 ' B' ' 28' ' ' LEU . 72.0 m -69.27 -36.34 77.0 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.012 179.17 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.96 -37.82 72.78 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 121.32 0.581 . . . . 0.0 110.588 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -72.32 -37.69 68.86 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.648 -177.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . 0.531 ' HB3' HD13 ' B' ' 37' ' ' LEU . 35.5 m-80 -96.42 -1.12 48.17 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.591 179.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 60.49 24.5 14.12 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.547 -174.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.531 HD13 ' HB3' ' B' ' 35' ' ' ASN . 2.7 mp -76.2 163.31 27.19 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.965 178.03 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -91.19 134.28 34.68 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.415 176.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . 0.428 HD13 ' CZ ' ' A' ' 16' ' ' PHE . 0.2 OUTLIER -45.22 -51.45 10.67 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 123.426 0.454 . . . . 0.0 111.265 178.334 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' THR . . . . . 0.719 HG21 HD11 ' A' ' 18' ' ' ILE . 15.1 m -60.12 -47.87 84.1 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.98 -179.279 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.439 ' NE2' ' HG ' ' B' ' 37' ' ' LEU . 18.0 tt0 -56.31 -38.98 72.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.505 179.349 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . 0.688 ' HB1' HD12 ' B' ' 28' ' ' LEU . . . -69.78 -44.2 70.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.215 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.475 HG12 ' HE2' ' A' ' 16' ' ' PHE . 1.5 mp -58.34 -46.36 89.18 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 CA-C-O 120.626 0.251 . . . . 0.0 110.349 175.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.544 ' HG2' ' HB2' ' A' ' 20' ' ' MET . 47.3 mt-10 -61.16 -44.94 96.52 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.664 -179.481 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -60.61 -40.87 93.43 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.249 0.547 . . . . 0.0 109.877 174.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.727 ' HB2' ' HA ' ' A' ' 47' ' ' ILE . . . -63.25 -54.18 41.4 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.62 -178.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.736 ' HA ' ' HB2' ' A' ' 46' ' ' ALA . 21.2 tt -69.28 -27.12 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.99 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.056 -177.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.726 ' HE2' HE22 ' B' ' 52' ' ' GLN . 0.6 OUTLIER -70.75 -56.22 6.87 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 121.156 0.503 . . . . 0.0 110.556 179.368 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -72.65 -9.67 58.88 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.808 -177.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' TYR . . . . . 0.608 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 66.6 t80 -75.72 -45.01 39.06 Favored 'General case' 0 N--CA 1.434 -1.243 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.824 176.398 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.491 ' HG ' ' HG3' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -61.01 -38.39 85.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.953 175.815 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.726 HE22 ' HE2' ' B' ' 48' ' ' LYS . 1.3 mp0 . . . . . 0 C--N 1.322 -0.597 0 C-N-CA 120.526 -0.47 . . . . 0.0 111.423 -179.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.541 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.435 HG21 ' CD1' ' B' ' 19' ' ' TYR . 2.4 t -106.56 162.68 5.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.49 ' O ' ' HA2' ' B' ' 17' ' ' GLY . 3.4 t80 -152.24 124.59 8.22 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.483 ' HA2' ' O ' ' B' ' 16' ' ' PHE . . . -131.16 98.92 0.4 Allowed Glycine 0 N--CA 1.45 -0.367 0 N-CA-C 111.615 -0.594 . . . . 0.0 111.615 -179.303 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.764 HD13 HG22 ' B' ' 40' ' ' THR . 45.1 pt -127.37 171.56 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.747 0.308 . . . . 0.0 111.652 -174.242 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.448 ' CD1' HG21 ' B' ' 15' ' ' VAL . 73.8 m-85 -115.52 96.76 5.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.023 176.511 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.43 ' HB2' ' HG2' ' B' ' 44' ' ' GLU . 21.3 ptm -107.37 163.18 13.26 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.504 -177.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.77 156.75 10.59 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.078 0.466 . . . . 0.0 111.284 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -79.19 -63.09 1.5 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.806 -177.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -48.19 -39.39 20.81 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 123.874 0.734 . . . . 0.0 111.631 -175.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.701 HD13 HG23 ' B' ' 47' ' ' ILE . 0.2 OUTLIER -68.4 -58.08 4.89 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.719 179.486 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.465 ' HD2' ' CD1' ' B' ' 16' ' ' PHE . 3.3 ttpm? -59.68 -33.88 72.14 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.453 0.644 . . . . 0.0 110.1 178.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.484 ' O ' HG23 ' A' ' 30' ' ' VAL . 19.7 m -75.42 -34.23 60.99 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.556 -177.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.519 ' HG3' ' HG ' ' B' ' 51' ' ' LEU . 16.7 tpp180 -57.58 -54.08 50.92 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.49 0.662 . . . . 0.0 109.48 173.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.683 HD13 ' HG ' ' A' ' 32' ' ' CYS . 3.1 tm? -58.86 -36.12 74.08 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.443 174.513 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.404 ' C ' ' HD3' ' A' ' 29' ' ' LYS . 1.4 tmtp? -57.96 -42.46 85.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.979 0.418 . . . . 0.0 110.029 176.205 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 26' ' ' THR . 94.9 t -66.74 -34.71 71.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.572 177.407 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.433 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 91.3 t80 -62.58 -39.1 92.63 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.767 175.471 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.683 ' HG ' HD13 ' A' ' 28' ' ' LEU . 80.9 m -72.33 -32.06 66.2 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.123 179.537 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.2 -37.09 58.25 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.286 0.565 . . . . 0.0 110.437 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -74.21 -38.6 63.53 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.37 -177.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -94.81 0.48 54.91 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.155 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 57.56 23.63 9.47 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.055 -175.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mp -72.95 168.01 19.87 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.042 177.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -90.47 132.95 35.37 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.308 174.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.546 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 0.1 OUTLIER -45.73 -51.58 12.31 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 123.716 0.635 . . . . 0.0 110.683 178.802 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.775 HG22 HD13 ' B' ' 18' ' ' ILE . 10.4 m -59.59 -49.2 78.69 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.643 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.536 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 23.9 tt0 -55.84 -38.37 69.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.113 0.483 . . . . 0.0 110.528 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.651 ' HB2' HD12 ' A' ' 28' ' ' LEU . . . -67.36 -44.61 78.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.747 179.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.436 ' O ' HG21 ' A' ' 47' ' ' ILE . 1.5 mp -58.21 -46.21 88.7 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.251 0 CA-C-O 120.941 0.4 . . . . 0.0 110.319 175.11 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.465 ' HA ' HG21 ' A' ' 47' ' ' ILE . 47.8 mt-10 -62.02 -41.95 98.64 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.185 -178.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.536 ' HG2' ' O ' ' A' ' 41' ' ' GLN . 10.5 mm-40 -69.0 -34.09 74.72 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 175.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.727 ' HB3' ' HA ' ' B' ' 47' ' ' ILE . . . -63.9 -54.91 27.33 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.527 178.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.728 ' HA ' ' HB3' ' B' ' 46' ' ' ALA . 20.8 tt -69.08 -24.79 28.55 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.209 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.073 -177.177 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.572 ' HE2' HE22 ' A' ' 52' ' ' GLN . 0.6 OUTLIER -74.05 -57.48 3.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.072 178.302 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -62.08 -16.51 52.67 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 176.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.646 ' CD1' ' HA ' ' B' ' 46' ' ' ALA . 56.9 t80 -71.67 -52.55 17.31 Favored 'General case' 0 N--CA 1.439 -0.975 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.231 177.101 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.535 ' HG ' ' HG3' ' B' ' 27' ' ' ARG . 0.2 OUTLIER -58.11 -33.68 69.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.353 177.509 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.572 HE22 ' HE2' ' A' ' 48' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--N 1.323 -0.555 0 CA-C-O 120.693 0.282 . . . . 0.0 110.948 178.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.483 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.448 HG21 ' CD1' ' A' ' 19' ' ' TYR . 2.4 t -106.43 162.7 5.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . 0.483 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 3.4 t80 -152.16 123.73 7.84 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.856 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . 0.49 ' HA2' ' O ' ' A' ' 16' ' ' PHE . . . -130.06 99.61 0.45 Allowed Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 111.496 -0.642 . . . . 0.0 111.496 -179.506 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . 0.775 HD13 HG22 ' A' ' 40' ' ' THR . 45.4 pt -127.65 171.83 15.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.941 0.4 . . . . 0.0 111.776 -174.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . 0.435 ' CD1' HG21 ' A' ' 15' ' ' VAL . 73.5 m-85 -115.82 96.89 5.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.989 176.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' MET . . . . . 0.449 ' HB2' ' HG2' ' A' ' 44' ' ' GLU . 21.4 ptm -107.52 163.02 13.42 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.477 -177.41 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.67 156.51 10.78 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.171 0.51 . . . . 0.0 111.216 179.199 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -79.01 -63.45 1.42 Allowed 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.774 -177.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -47.71 -39.86 18.69 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 123.878 0.736 . . . . 0.0 111.691 -175.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . 0.684 HD13 HG23 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -68.16 -58.13 4.94 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.716 179.567 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.454 ' HD2' ' CD1' ' A' ' 16' ' ' PHE . 3.3 ttpm? -59.52 -33.79 71.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.52 0.676 . . . . 0.0 110.158 178.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' THR . . . . . 0.478 ' O ' HG23 ' B' ' 30' ' ' VAL . 19.7 m -75.59 -34.29 60.63 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.723 -177.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . 0.535 ' HG3' ' HG ' ' A' ' 51' ' ' LEU . 16.9 tpp180 -57.44 -54.35 47.83 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.556 0.693 . . . . 0.0 109.603 173.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.678 HD13 ' HG ' ' B' ' 32' ' ' CYS . 3.1 tm? -58.55 -36.2 73.53 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.35 174.449 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.411 ' C ' ' HD3' ' B' ' 29' ' ' LYS . 1.3 tmtp? -58.03 -42.3 85.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.97 0.414 . . . . 0.0 109.998 176.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.478 HG23 ' O ' ' B' ' 26' ' ' THR . 92.5 t -66.9 -34.72 71.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.456 0.646 . . . . 0.0 110.479 177.454 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' TYR . . . . . 0.426 ' HB3' ' O ' ' B' ' 28' ' ' LEU . 91.4 t80 -62.65 -39.05 92.68 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.796 175.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' CYS . . . . . 0.678 ' HG ' HD13 ' B' ' 28' ' ' LEU . 77.6 m -72.17 -32.37 66.78 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.145 179.333 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.87 -37.36 59.0 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.294 0.569 . . . . 0.0 110.394 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -73.73 -38.83 64.65 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.404 -177.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -94.61 0.26 55.02 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.233 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 57.46 24.07 9.8 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.514 -0.767 . . . . 0.0 111.076 -175.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mp -73.2 167.84 20.35 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.114 177.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -90.52 132.7 35.54 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.301 174.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . 0.551 ' HA ' ' SG ' ' B' ' 32' ' ' CYS . 0.1 OUTLIER -45.57 -51.27 12.21 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 123.624 0.578 . . . . 0.0 110.669 179.06 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' THR . . . . . 0.764 HG22 HD13 ' A' ' 18' ' ' ILE . 8.9 m -59.64 -49.42 77.82 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.673 -179.167 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.535 ' O ' ' HG2' ' B' ' 45' ' ' GLU . 24.0 tt0 -55.9 -38.34 70.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.367 -179.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . 0.643 ' HB2' HD12 ' B' ' 28' ' ' LEU . . . -67.36 -44.81 78.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.773 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.442 HG22 HD11 ' A' ' 18' ' ' ILE . 1.5 mp -57.96 -46.18 87.75 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.234 0 CA-C-O 120.903 0.383 . . . . 0.0 110.408 174.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.444 ' HA ' HG21 ' B' ' 47' ' ' ILE . 47.6 mt-10 -62.19 -41.96 98.84 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.093 -178.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.535 ' HG2' ' O ' ' B' ' 41' ' ' GLN . 9.3 mm-40 -69.3 -33.74 73.65 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 175.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.728 ' HB3' ' HA ' ' A' ' 47' ' ' ILE . . . -63.88 -54.84 28.47 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.53 178.542 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.727 ' HA ' ' HB3' ' A' ' 46' ' ' ALA . 20.9 tt -69.36 -24.46 27.66 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.119 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.003 -176.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.56 ' HE2' HE22 ' B' ' 52' ' ' GLN . 0.6 OUTLIER -74.12 -57.47 3.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.292 -0.413 . . . . 0.0 109.893 178.374 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -62.21 -16.66 54.73 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 176.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' TYR . . . . . 0.629 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 56.9 t80 -71.53 -52.7 16.88 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.301 177.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.519 ' HG ' ' HG3' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -57.97 -33.51 68.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.345 177.316 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.56 HE22 ' HE2' ' B' ' 48' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--N 1.323 -0.549 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.872 178.668 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.416 ' O ' ' HA ' ' B' ' 19' ' ' TYR . . . . . . . . 0 N--CA 1.449 -0.515 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.411 HG23 ' CD1' ' B' ' 19' ' ' TYR . 2.2 t -110.02 161.14 8.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 179.064 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.574 ' O ' ' HA2' ' B' ' 17' ' ' GLY . 1.6 t80 -148.68 130.28 14.94 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.32 -0.4 . . . . 0.0 109.932 -177.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.585 ' HA2' ' O ' ' B' ' 16' ' ' PHE . . . -134.5 94.31 0.26 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.689 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.666 HD13 HG21 ' B' ' 40' ' ' THR . 43.6 pt -126.17 168.5 18.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.856 0.36 . . . . 0.0 111.83 -174.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.419 ' CD1' HG23 ' B' ' 15' ' ' VAL . 65.2 m-85 -109.37 97.35 6.95 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.959 176.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 22.6 ptm -108.59 156.73 19.19 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.264 -177.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -60.67 154.78 20.56 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.214 0.53 . . . . 0.0 112.359 -175.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -74.43 -64.51 1.01 Allowed 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.968 -174.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -49.92 -38.56 36.75 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 123.857 0.723 . . . . 0.0 111.541 -176.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.657 HD11 ' CG2' ' B' ' 47' ' ' ILE . 0.7 OUTLIER -68.91 -56.48 7.76 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.784 -179.836 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.441 ' N ' HD12 ' A' ' 24' ' ' LEU . 3.2 ttpm? -62.63 -30.29 71.25 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 121.751 0.786 . . . . 0.0 109.525 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.461 ' O ' HG21 ' A' ' 30' ' ' VAL . 20.9 m -74.83 -40.2 61.19 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.581 -1.19 . . . . 0.0 111.206 -177.344 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.479 ' HG3' ' HG ' ' B' ' 51' ' ' LEU . 12.3 tpp180 -55.59 -47.33 76.66 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.333 0.587 . . . . 0.0 110.045 173.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.7 HD11 ' HG ' ' A' ' 32' ' ' CYS . 3.2 tm? -65.01 -35.61 81.74 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.817 176.607 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.46 ' C ' ' HD3' ' A' ' 29' ' ' LYS . 1.2 tmtp? -57.1 -39.16 74.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.091 0.472 . . . . 0.0 110.008 175.537 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.461 HG21 ' O ' ' A' ' 26' ' ' THR . 57.7 t -68.74 -33.32 58.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.513 0.673 . . . . 0.0 110.819 177.555 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.424 ' HB3' HD23 ' A' ' 28' ' ' LEU . 90.6 t80 -65.79 -37.74 87.11 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.753 175.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.7 ' HG ' HD11 ' A' ' 28' ' ' LEU . 74.3 m -73.42 -19.53 60.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.834 177.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.39 -39.59 20.48 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.208 0.528 . . . . 0.0 109.947 175.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.571 ' HZ3' ' HB2' ' A' ' 34' ' ' LYS . 4.2 ttmp? -69.67 -43.45 72.53 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.499 -178.141 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.568 ' HB3' HD13 ' A' ' 37' ' ' LEU . 34.1 m-80 -95.92 1.07 52.69 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.299 -179.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 55.14 24.36 6.12 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.694 -173.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.588 ' HG ' ' NE2' ' A' ' 41' ' ' GLN . 3.4 mp -69.71 163.85 24.77 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.417 0.627 . . . . 0.0 111.76 177.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -87.09 136.14 33.03 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.295 -0.866 . . . . 0.0 108.954 171.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.431 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 0.2 OUTLIER -45.21 -47.45 12.63 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 123.546 0.529 . . . . 0.0 111.043 179.696 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.698 HG21 HD13 ' B' ' 18' ' ' ILE . 9.6 m -62.25 -49.13 76.94 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.512 -179.196 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.588 ' NE2' ' HG ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -57.36 -36.19 70.88 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.024 0.44 . . . . 0.0 110.379 -179.352 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.635 ' HB3' HD13 ' A' ' 28' ' ' LEU . . . -69.12 -45.88 69.07 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.92 178.596 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.511 ' O ' HG22 ' A' ' 47' ' ' ILE . 1.5 mp -57.03 -45.58 83.95 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-O 120.718 0.294 . . . . 0.0 110.439 175.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.471 ' HA ' HG22 ' A' ' 47' ' ' ILE . 43.3 mt-10 -63.19 -47.2 83.6 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.901 -178.23 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -59.16 -36.99 76.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.826 0.346 . . . . 0.0 110.42 172.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.783 ' HB3' ' HA ' ' B' ' 47' ' ' ILE . . . -63.13 -56.88 13.05 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.586 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.799 ' HA ' ' HB3' ' B' ' 46' ' ' ALA . 19.7 tt -67.8 -27.94 39.74 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.103 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.316 -178.039 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.449 ' HE3' HD22 ' B' ' 24' ' ' LEU . 2.5 tpmt? -69.81 -59.46 2.92 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.407 176.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -62.76 -13.93 38.83 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 177.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.685 ' CD1' ' HA ' ' B' ' 46' ' ' ALA . 53.2 t80 -73.29 -54.15 9.09 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.708 179.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.49 HD21 ' O ' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -57.51 -37.73 73.46 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.003 179.301 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 C--N 1.32 -0.707 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.249 -179.14 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.407 ' O ' ' HA ' ' A' ' 19' ' ' TYR . . . . . . . . 0 N--CA 1.449 -0.518 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.419 HG23 ' CD1' ' A' ' 19' ' ' TYR . 2.2 t -109.72 161.58 7.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 178.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . 0.585 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 1.6 t80 -148.97 130.37 14.74 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 116.231 -0.44 . . . . 0.0 109.849 -177.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . 0.574 ' HA2' ' O ' ' A' ' 16' ' ' PHE . . . -134.69 94.29 0.25 Allowed Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 121.079 -0.581 . . . . 0.0 111.69 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . 0.698 HD13 HG21 ' A' ' 40' ' ' THR . 43.9 pt -126.09 168.8 18.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -174.232 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . 0.416 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 64.9 m-85 -109.75 97.22 6.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.893 176.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 22.6 ptm -108.6 156.77 19.16 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.339 -177.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -60.78 154.9 20.64 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.213 0.53 . . . . 0.0 112.343 -175.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -74.4 -64.7 0.97 Allowed 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.84 -174.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -49.87 -38.24 34.53 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 123.807 0.692 . . . . 0.0 111.411 -176.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . 0.662 HD11 ' CG2' ' A' ' 47' ' ' ILE . 0.7 OUTLIER -69.38 -56.41 7.56 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.715 -179.56 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.434 ' N ' HD12 ' B' ' 24' ' ' LEU . 3.2 ttpm? -62.73 -29.96 71.07 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-O 121.73 0.776 . . . . 0.0 109.534 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' THR . . . . . 0.465 ' O ' HG21 ' B' ' 30' ' ' VAL . 22.1 m -74.92 -40.42 60.87 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.532 -1.213 . . . . 0.0 111.046 -177.37 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . 0.482 ' HG3' ' HG ' ' A' ' 51' ' ' LEU . 12.3 tpp180 -55.72 -47.16 77.36 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.316 0.579 . . . . 0.0 109.983 173.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.693 HD11 ' HG ' ' B' ' 32' ' ' CYS . 3.2 tm? -65.16 -35.36 80.84 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.959 176.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.459 ' C ' ' HD3' ' B' ' 29' ' ' LYS . 1.3 tmtp? -57.35 -39.03 75.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.005 0.431 . . . . 0.0 110.034 175.512 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.465 HG21 ' O ' ' B' ' 26' ' ' THR . 58.9 t -68.8 -33.64 60.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.676 0.75 . . . . 0.0 110.713 177.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' TYR . . . . . 0.426 ' HB3' HD23 ' B' ' 28' ' ' LEU . 90.3 t80 -65.63 -37.6 87.04 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.664 176.041 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' CYS . . . . . 0.693 ' HG ' HD11 ' B' ' 28' ' ' LEU . 80.9 m -73.62 -19.71 60.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.904 177.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.94 -40.24 20.37 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.284 0.564 . . . . 0.0 109.848 175.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.582 ' HZ3' ' HB2' ' B' ' 34' ' ' LYS . 4.2 ttmp? -68.9 -43.94 74.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.366 -178.04 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . 0.586 ' HB3' HD13 ' B' ' 37' ' ' LEU . 35.5 m-80 -95.62 1.04 53.47 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.225 -179.13 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 55.31 23.8 5.93 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.557 -174.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.586 HD13 ' HB3' ' B' ' 35' ' ' ASN . 3.3 mp -69.36 163.83 24.28 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.389 0.614 . . . . 0.0 111.659 177.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -86.94 136.63 32.87 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.283 -0.871 . . . . 0.0 108.801 171.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . 0.441 ' HA ' ' SG ' ' B' ' 32' ' ' CYS . 0.2 OUTLIER -45.64 -47.19 14.9 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 123.663 0.602 . . . . 0.0 110.964 179.675 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' THR . . . . . 0.666 HG21 HD13 ' A' ' 18' ' ' ILE . 10.2 m -62.52 -49.11 76.65 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.567 -179.321 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.582 ' NE2' ' HG ' ' B' ' 37' ' ' LEU . 0.0 OUTLIER -57.21 -36.24 70.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.056 0.455 . . . . 0.0 110.548 -179.597 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . 0.634 ' HB3' HD13 ' B' ' 28' ' ' LEU . . . -68.96 -46.14 68.88 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.842 178.672 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.506 ' O ' HG22 ' B' ' 47' ' ' ILE . 1.5 mp -57.09 -45.58 84.23 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.297 0 CA-C-O 120.541 0.21 . . . . 0.0 110.494 175.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.455 ' HA ' HG22 ' B' ' 47' ' ' ILE . 43.0 mt-10 -63.06 -46.97 84.98 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 -178.47 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -59.31 -36.74 76.17 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.779 0.324 . . . . 0.0 110.452 172.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.799 ' HB3' ' HA ' ' A' ' 47' ' ' ILE . . . -63.59 -56.77 13.32 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.453 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.783 ' HA ' ' HB3' ' A' ' 46' ' ' ALA . 19.7 tt -67.79 -27.89 39.59 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.033 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.323 -178.207 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.446 ' HE3' HD22 ' A' ' 24' ' ' LEU . 2.5 tpmt? -69.99 -59.29 3.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.442 176.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -62.64 -14.09 39.39 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 177.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' TYR . . . . . 0.673 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 53.4 t80 -73.48 -54.32 8.53 Favored 'General case' 0 N--CA 1.439 -1.024 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.621 179.317 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.495 HD21 ' O ' ' B' ' 47' ' ' ILE . 0.2 OUTLIER -57.26 -37.66 72.69 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.07 179.211 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 C--N 1.321 -0.674 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.477 -178.993 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt . . . . . 0 N--CA 1.481 1.087 0 N-CA-C 111.358 0.132 . . . . 0.0 111.358 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.5 pt20 -69.69 123.24 20.86 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 176.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -107.12 153.68 22.28 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.601 0.715 . . . . 0.0 112.046 -167.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -142.54 168.69 19.14 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.035 173.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.408 HG23 ' CD1' ' B' ' 19' ' ' TYR . 2.2 t -108.97 162.17 6.9 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 178.445 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.557 ' O ' ' HA2' ' B' ' 17' ' ' GLY . 2.6 t80 -150.77 124.03 8.88 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.066 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.546 ' HA2' ' O ' ' B' ' 16' ' ' PHE . . . -129.81 96.02 0.37 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 121.066 -0.587 . . . . 0.0 111.745 -179.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.704 HD11 HG22 ' B' ' 40' ' ' THR . 35.5 pt -125.12 166.81 20.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.979 0.419 . . . . 0.0 112.054 -174.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.427 ' CD1' HG23 ' B' ' 15' ' ' VAL . 62.2 m-85 -107.63 94.32 5.02 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.073 176.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 23.0 ptm -106.4 161.5 14.52 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.933 -178.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.08 155.85 19.41 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.071 0.462 . . . . 0.0 111.332 -178.074 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -76.77 -63.62 1.31 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.478 -175.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -50.05 -39.13 41.01 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 123.811 0.694 . . . . 0.0 111.922 -175.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.6 HD12 ' CG2' ' B' ' 47' ' ' ILE . 0.5 OUTLIER -70.21 -54.98 10.47 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.715 -179.746 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.457 ' HZ1' ' HB3' ' A' ' 25' ' ' LYS . 3.4 ttpm? -62.02 -32.84 73.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.714 0.769 . . . . 0.0 109.845 179.297 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.458 ' O ' HG22 ' A' ' 30' ' ' VAL . 18.4 m -77.81 -33.93 52.27 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.63 -1.168 . . . . 0.0 110.922 -176.181 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.602 ' HG3' ' HG ' ' B' ' 51' ' ' LEU . 12.3 tpp180 -56.42 -50.06 72.75 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.338 0.59 . . . . 0.0 109.432 171.519 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.772 ' HG ' HD11 ' B' ' 47' ' ' ILE . 3.3 tm? -62.28 -36.06 80.91 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.685 176.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.427 ' C ' ' HD3' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -58.38 -39.87 80.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.198 0.523 . . . . 0.0 110.033 175.643 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 26' ' ' THR . 96.0 t -71.14 -31.73 45.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.641 177.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.457 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 84.4 t80 -63.79 -38.57 91.59 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.547 173.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.727 ' HG ' HD13 ' A' ' 28' ' ' LEU . 76.8 m -73.34 -24.13 60.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.806 178.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.23 -36.77 39.47 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.28 0.562 . . . . 0.0 110.051 176.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -72.38 -44.28 62.76 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.431 -178.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.446 ' HB3' HD12 ' A' ' 37' ' ' LEU . 41.5 m-80 -94.46 1.68 55.76 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.792 0.329 . . . . 0.0 110.518 -179.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.3 m120 56.02 24.43 7.76 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.318 -174.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.446 HD12 ' HB3' ' A' ' 35' ' ' ASN . 1.8 mp -72.25 167.23 20.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.466 178.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -87.73 135.72 33.26 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.327 172.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.464 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 0.2 OUTLIER -45.53 -52.04 10.98 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 123.588 0.555 . . . . 0.0 110.864 177.612 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.714 HG22 HD11 ' B' ' 18' ' ' ILE . 3.9 m -59.41 -49.54 77.4 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.521 -179.227 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.446 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 22.9 tt0 -55.44 -38.05 68.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.66 -179.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.703 ' HB3' HD12 ' A' ' 28' ' ' LEU . . . -69.95 -44.37 69.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.17 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.5 mp -57.72 -46.13 86.8 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.161 0 CA-C-O 120.997 0.427 . . . . 0.0 110.318 175.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.487 ' HA ' HG21 ' A' ' 47' ' ' ILE . 48.0 mt-10 -62.93 -43.47 98.7 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.81 -178.293 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 41' ' ' GLN . 31.5 mm-40 -63.45 -39.02 93.35 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 175.035 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.855 ' HB1' ' HA ' ' B' ' 47' ' ' ILE . . . -62.69 -54.68 35.66 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.653 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.84 ' HA ' ' HB1' ' B' ' 46' ' ' ALA . 6.3 tt -70.57 -26.12 27.98 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.112 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.856 -176.087 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.905 ' HE2' HE22 ' A' ' 52' ' ' GLN . 1.4 tpmt? -68.95 -55.94 9.39 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.496 177.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -70.91 -9.78 58.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.717 -177.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.584 ' CD1' ' HA ' ' B' ' 46' ' ' ALA . 58.8 t80 -80.3 -46.49 16.07 Favored 'General case' 0 N--CA 1.438 -1.049 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.233 178.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.62 ' HG ' ' HG3' ' B' ' 27' ' ' ARG . 0.1 OUTLIER -61.22 -40.44 94.0 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.584 177.65 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.905 HE22 ' HE2' ' A' ' 48' ' ' LYS . 1.9 mp0 -76.24 -28.57 57.2 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.084 -177.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -77.46 -16.13 58.94 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.374 0.606 . . . . 0.0 110.027 177.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -106.8 -72.81 0.71 Allowed 'General case' 0 N--CA 1.438 -1.043 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.453 -175.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.5 p30 178.9 -61.35 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.52 -175.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.861 -0.966 . . . . 0.0 112.102 -177.105 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt . . . . . 0 N--CA 1.479 0.987 0 CA-C-O 120.295 0.093 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 28.1 pt20 -70.19 123.0 20.55 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 176.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -107.05 153.56 22.43 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.299 0.571 . . . . 0.0 111.946 -167.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -142.36 168.94 18.54 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 114.88 -1.055 . . . . 0.0 108.932 173.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.427 HG23 ' CD1' ' A' ' 19' ' ' TYR . 2.3 t -109.45 161.87 7.52 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 178.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . 0.546 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 2.7 t80 -150.6 124.28 9.13 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.028 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . 0.557 ' HA2' ' O ' ' A' ' 16' ' ' PHE . . . -130.0 95.81 0.36 Allowed Glycine 0 N--CA 1.45 -0.37 0 N-CA-C 111.649 -0.58 . . . . 0.0 111.649 -179.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . 0.714 HD11 HG22 ' A' ' 40' ' ' THR . 36.0 pt -124.94 166.46 20.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.906 0.384 . . . . 0.0 111.971 -174.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . 0.408 ' CD1' HG23 ' A' ' 15' ' ' VAL . 62.0 m-85 -107.32 94.45 5.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.792 176.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 23.2 ptm -106.44 161.41 14.62 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.86 -178.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.97 156.14 18.35 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.256 0.55 . . . . 0.0 111.482 -178.042 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -77.17 -63.46 1.36 Allowed 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.499 -175.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -49.89 -39.74 40.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 123.924 0.765 . . . . 0.0 111.823 -175.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . 0.605 HD12 ' CG2' ' A' ' 47' ' ' ILE . 0.6 OUTLIER -69.62 -55.41 10.13 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.763 -179.821 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.47 ' HB3' ' HZ1' ' B' ' 25' ' ' LYS . 3.4 ttpm? -61.9 -32.69 73.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.832 0.825 . . . . 0.0 109.821 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' THR . . . . . 0.457 ' O ' HG22 ' B' ' 30' ' ' VAL . 19.0 m -78.06 -33.84 50.71 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.674 -1.148 . . . . 0.0 111.094 -176.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.62 ' HG3' ' HG ' ' A' ' 51' ' ' LEU . 12.3 tpp180 -56.29 -49.88 73.01 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 171.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.746 ' HG ' HD11 ' A' ' 47' ' ' ILE . 3.3 tm? -62.47 -36.13 81.5 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.615 176.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.435 ' C ' ' HD3' ' B' ' 29' ' ' LYS . 0.8 OUTLIER -58.24 -40.08 80.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.304 0.573 . . . . 0.0 110.02 175.693 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.457 HG22 ' O ' ' B' ' 26' ' ' THR . 95.0 t -71.06 -31.48 45.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.536 0.684 . . . . 0.0 110.769 177.549 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' TYR . . . . . 0.458 ' HB3' ' O ' ' B' ' 28' ' ' LEU . 84.6 t80 -64.13 -38.4 90.92 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.586 173.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' CYS . . . . . 0.71 ' HG ' HD13 ' B' ' 28' ' ' LEU . 77.0 m -73.17 -24.27 60.53 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.84 177.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.24 -36.8 39.39 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.536 0.684 . . . . 0.0 109.875 177.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -72.45 -44.13 62.8 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.495 -178.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . 0.458 ' HB3' HD12 ' B' ' 37' ' ' LEU . 41.2 m-80 -94.54 1.44 55.67 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.5 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 8.1 m120 56.04 25.02 8.38 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.18 -174.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.458 HD12 ' HB3' ' B' ' 35' ' ' ASN . 1.7 mp -72.86 167.04 21.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.425 178.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -87.75 135.45 33.37 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.128 172.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . 0.473 ' HA ' ' SG ' ' B' ' 32' ' ' CYS . 0.2 OUTLIER -45.09 -52.1 9.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 123.632 0.582 . . . . 0.0 111.13 177.214 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' THR . . . . . 0.704 HG22 HD11 ' A' ' 18' ' ' ILE . 4.1 m -59.33 -49.59 77.22 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.289 -179.139 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.456 ' NE2' ' HG ' ' B' ' 37' ' ' LEU . 22.9 tt0 -55.72 -37.75 68.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.727 -178.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.734 ' HB3' HD12 ' B' ' 28' ' ' LEU . . . -70.12 -44.05 69.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.242 179.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 1.5 mp -57.84 -46.49 87.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.968 0.413 . . . . 0.0 110.277 175.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.47 ' HA ' HG21 ' B' ' 47' ' ' ILE . 47.8 mt-10 -62.46 -43.59 98.45 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.951 -178.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' B' ' 41' ' ' GLN . 30.3 mm-40 -63.4 -39.15 93.73 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 174.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.84 ' HB1' ' HA ' ' A' ' 47' ' ' ILE . . . -62.67 -54.76 34.47 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.665 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.855 ' HA ' ' HB1' ' A' ' 46' ' ' ALA . 6.3 tt -70.3 -26.0 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.099 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.889 -176.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.872 ' HE2' HE22 ' B' ' 52' ' ' GLN . 1.4 tpmt? -69.2 -55.72 9.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.962 0.41 . . . . 0.0 110.503 177.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -71.01 -9.92 58.86 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.61 -177.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' TYR . . . . . 0.574 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 59.2 t80 -80.11 -46.54 16.28 Favored 'General case' 0 N--CA 1.439 -1.014 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.326 178.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.602 ' HG ' ' HG3' ' A' ' 27' ' ' ARG . 0.1 OUTLIER -61.25 -40.4 93.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.511 177.661 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.872 HE22 ' HE2' ' B' ' 48' ' ' LYS . 1.8 mp0 -75.97 -28.97 58.08 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.516 -0.473 . . . . 0.0 111.182 -177.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -77.15 -16.44 59.14 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.384 0.611 . . . . 0.0 109.946 177.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -106.52 -73.45 0.69 Allowed 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.292 -175.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 4.8 p30 179.34 -61.4 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.544 -175.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.832 0 CA-C-O 118.931 -0.927 . . . . 0.0 111.847 -177.064 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? . . . . . 0 N--CA 1.479 0.997 0 CA-C-O 121.102 0.477 . . . . 0.0 110.719 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.542 ' O ' ' HA ' ' B' ' 21' ' ' ASP . 3.8 pt20 -82.72 118.37 23.32 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 169.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -111.5 149.02 31.94 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-O 121.892 0.853 . . . . 0.0 112.905 -161.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -139.88 166.34 24.9 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.159 -1.382 . . . . 0.0 108.749 171.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.4 t -104.78 161.24 4.88 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.979 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.569 ' O ' ' HA2' ' B' ' 17' ' ' GLY . 3.3 t80 -150.98 122.01 7.67 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.63 -179.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.555 ' HA2' ' O ' ' B' ' 16' ' ' PHE . . . -130.36 94.53 0.33 Allowed Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 111.631 -0.587 . . . . 0.0 111.631 -178.139 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.674 HD12 HG23 ' B' ' 40' ' ' THR . 43.0 pt -124.26 172.5 11.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.956 0.408 . . . . 0.0 111.618 -173.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.412 ' CD1' HG22 ' B' ' 15' ' ' VAL . 68.4 m-85 -115.95 98.55 6.71 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.975 178.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.4 ' HB2' ' HG2' ' B' ' 44' ' ' GLU . 21.6 ptm -110.2 163.88 13.19 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.354 -175.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.551 ' HA ' ' O ' ' B' ' 12' ' ' GLN . 2.7 m-20 -62.94 155.49 27.16 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.075 0.464 . . . . 0.0 111.647 -178.022 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -75.15 -66.21 0.79 Allowed 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.52 -178.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -48.32 -31.77 6.49 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 123.648 0.592 . . . . 0.0 112.135 -175.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.632 HD13 ' CG2' ' B' ' 47' ' ' ILE . 0.6 OUTLIER -78.56 -55.37 5.25 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.767 -179.67 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.448 ' HB3' ' HZ2' ' A' ' 25' ' ' LYS . 3.4 ttpm? -62.19 -33.38 74.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.81 0.814 . . . . 0.0 109.805 178.057 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.467 ' O ' HG21 ' A' ' 30' ' ' VAL . 54.6 m -77.4 -33.47 55.04 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.625 -1.17 . . . . 0.0 110.361 -176.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.696 ' HG3' ' HG ' ' B' ' 51' ' ' LEU . 17.8 tpp180 -54.08 -53.25 55.77 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.767 0.794 . . . . 0.0 109.38 171.206 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.734 ' HG ' HD12 ' B' ' 47' ' ' ILE . 3.2 tm? -61.7 -36.98 82.47 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.665 -1.152 . . . . 0.0 111.425 175.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.441 ' C ' ' HD3' ' A' ' 29' ' ' LYS . 13.1 tmtt? -55.64 -43.36 76.16 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.092 0.472 . . . . 0.0 110.268 176.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.467 HG21 ' O ' ' A' ' 26' ' ' THR . 91.2 t -67.0 -33.32 62.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.598 178.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.439 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 91.3 t80 -64.45 -38.73 92.04 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.763 175.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.708 ' HG ' HD12 ' A' ' 28' ' ' LEU . 77.3 m -75.1 -26.32 59.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.28 179.076 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.88 -37.3 40.54 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.284 0.564 . . . . 0.0 110.277 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -78.25 -38.4 42.97 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.632 -176.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.471 ' HB3' HD11 ' A' ' 37' ' ' LEU . 44.0 m-80 -94.63 0.4 55.11 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.863 0.363 . . . . 0.0 110.494 178.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.1 m120 58.2 23.27 10.08 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.765 -174.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.531 ' HG ' ' NE2' ' A' ' 41' ' ' GLN . 1.9 mp -73.11 165.7 24.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.195 179.222 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -89.13 133.08 34.53 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.311 175.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.494 HD12 ' CZ ' ' B' ' 16' ' ' PHE . 0.1 OUTLIER -47.65 -51.52 21.23 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 123.578 0.549 . . . . 0.0 110.798 177.733 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.678 HG23 HD12 ' B' ' 18' ' ' ILE . 14.5 m -61.65 -48.61 80.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.292 -179.186 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.531 ' NE2' ' HG ' ' A' ' 37' ' ' LEU . 24.8 tt0 -54.28 -40.93 68.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.64 178.263 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.708 ' HB3' HD11 ' A' ' 28' ' ' LEU . . . -66.48 -44.66 82.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.954 -179.231 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.503 HG21 HD13 ' B' ' 18' ' ' ILE . 1.5 mp -58.74 -46.56 90.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.902 0.382 . . . . 0.0 110.602 175.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.436 ' HA ' HG22 ' A' ' 47' ' ' ILE . 45.7 mt-10 -62.26 -44.27 96.92 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.771 -179.079 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -64.41 -38.38 90.84 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.112 0.482 . . . . 0.0 109.807 175.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.794 ' HB2' ' HA ' ' B' ' 47' ' ' ILE . . . -61.86 -54.42 42.26 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.801 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.813 ' HA ' ' HB2' ' B' ' 46' ' ' ALA . 8.2 tt -70.77 -24.51 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.199 0 CA-C-N 115.054 -0.975 . . . . 0.0 110.608 -176.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.444 ' HE3' HD22 ' B' ' 24' ' ' LEU . 2.3 tpmt? -68.28 -59.89 2.86 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.572 176.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.603 ' HB3' ' HE2' ' B' ' 53' ' ' LYS . 1.1 mp0 -63.69 -17.11 62.63 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.045 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.631 ' CD1' ' HA ' ' B' ' 46' ' ' ALA . 56.8 t80 -74.18 -46.92 39.09 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.321 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.685 ' HG ' ' HG3' ' B' ' 27' ' ' ARG . 0.2 OUTLIER -62.83 -39.09 93.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.716 176.292 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -75.26 -29.42 60.18 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.755 0.312 . . . . 0.0 111.447 -177.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.625 ' HE2' ' HB3' ' B' ' 49' ' ' GLU . 25.2 ttpp -79.7 -19.8 48.05 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.22 0.533 . . . . 0.0 110.131 177.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 2.1 tpt180 -100.31 -70.57 0.73 Allowed 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.647 -175.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.9 p30 179.12 -58.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.899 -178.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.184 0 CA-C-O 118.539 -1.145 . . . . 0.0 111.902 -178.954 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? . . . . . 0 N--CA 1.48 1.028 0 CA-C-O 121.118 0.485 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . 0.551 ' O ' ' HA ' ' A' ' 21' ' ' ASP . 3.8 pt20 -82.44 118.55 23.3 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 169.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -111.82 148.65 33.12 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 121.882 0.849 . . . . 0.0 112.839 -161.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -139.61 165.73 26.48 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.255 -1.339 . . . . 0.0 108.801 171.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.412 HG22 ' CD1' ' A' ' 19' ' ' TYR . 2.4 t -104.11 161.59 4.52 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . 0.555 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 3.3 t80 -151.26 122.28 7.66 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . 0.569 ' HA2' ' O ' ' A' ' 16' ' ' PHE . . . -130.62 95.04 0.32 Allowed Glycine 0 N--CA 1.451 -0.358 0 N-CA-C 111.534 -0.626 . . . . 0.0 111.534 -178.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . 0.678 HD12 HG23 ' A' ' 40' ' ' THR . 43.1 pt -124.34 172.87 11.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.81 0.338 . . . . 0.0 111.666 -174.038 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -116.37 98.04 6.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.079 178.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' MET . . . . . 0.418 ' HB2' ' HG2' ' A' ' 44' ' ' GLU . 21.5 ptm -109.63 164.08 12.87 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.38 -175.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.542 ' HA ' ' O ' ' A' ' 12' ' ' GLN . 2.8 m-20 -62.85 155.54 26.71 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.015 0.436 . . . . 0.0 111.721 -178.326 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -75.33 -66.51 0.76 Allowed 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.416 -178.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -48.19 -31.24 5.49 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 123.649 0.593 . . . . 0.0 112.241 -175.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . 0.635 HD13 ' CG2' ' A' ' 47' ' ' ILE . 0.6 OUTLIER -79.13 -55.54 5.03 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.732 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.483 ' HZ2' ' HB3' ' B' ' 25' ' ' LYS . 3.4 ttpm? -61.8 -33.83 74.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.74 0.781 . . . . 0.0 109.69 178.02 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' THR . . . . . 0.466 ' O ' HG21 ' B' ' 30' ' ' VAL . 53.6 m -76.92 -33.37 57.74 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.632 -1.167 . . . . 0.0 110.419 -176.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.685 ' HG3' ' HG ' ' A' ' 51' ' ' LEU . 17.4 tpp180 -54.31 -53.17 57.42 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.731 0.777 . . . . 0.0 109.214 171.562 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.73 HD12 ' HG ' ' B' ' 32' ' ' CYS . 3.2 tm? -61.72 -36.97 82.49 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.631 -1.168 . . . . 0.0 111.395 175.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.456 ' C ' ' HD3' ' B' ' 29' ' ' LYS . 13.1 tmtt? -55.67 -43.28 76.18 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.141 0.496 . . . . 0.0 110.288 176.063 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.466 HG21 ' O ' ' B' ' 26' ' ' THR . 89.5 t -66.94 -33.27 62.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.75 178.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' TYR . . . . . 0.444 ' HB3' ' O ' ' B' ' 28' ' ' LEU . 91.2 t80 -64.52 -38.98 92.88 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.629 175.518 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' CYS . . . . . 0.73 ' HG ' HD12 ' B' ' 28' ' ' LEU . 77.6 m -75.18 -26.05 58.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.315 179.205 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.07 -37.52 38.67 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.383 0.611 . . . . 0.0 110.194 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -77.82 -38.46 46.28 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.597 -176.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . 0.454 ' HB3' HD11 ' B' ' 37' ' ' LEU . 44.2 m-80 -94.62 0.42 55.12 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.43 178.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 16.5 m120 58.23 23.13 9.97 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.893 -174.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.523 ' HG ' ' NE2' ' B' ' 41' ' ' GLN . 1.9 mp -72.98 165.64 24.6 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.258 179.181 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -89.32 132.66 34.83 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.337 176.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . 0.493 HD12 ' CZ ' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -47.34 -51.51 19.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 123.598 0.561 . . . . 0.0 110.743 177.895 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' THR . . . . . 0.674 HG23 HD12 ' A' ' 18' ' ' ILE . 11.6 m -61.59 -48.82 79.19 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.286 -179.08 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.523 ' NE2' ' HG ' ' B' ' 37' ' ' LEU . 24.7 tt0 -54.25 -40.76 68.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.461 178.371 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.723 ' HB3' HD11 ' B' ' 28' ' ' LEU . . . -66.58 -44.69 81.55 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.985 -179.319 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.514 HG21 HD13 ' A' ' 18' ' ' ILE . 1.5 mp -58.8 -46.61 90.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.83 0.348 . . . . 0.0 110.459 175.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.425 ' HA ' HG22 ' B' ' 47' ' ' ILE . 45.2 mt-10 -62.23 -43.81 97.98 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.896 -179.034 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -64.73 -38.45 91.03 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.16 0.505 . . . . 0.0 109.794 174.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.813 ' HB2' ' HA ' ' A' ' 47' ' ' ILE . . . -61.81 -54.43 42.36 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.857 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.794 ' HA ' ' HB2' ' A' ' 46' ' ' ALA . 8.2 tt -70.75 -24.27 24.82 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.216 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.626 -176.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.443 ' HE3' HD22 ' A' ' 24' ' ' LEU . 2.3 tpmt? -68.54 -59.74 2.92 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.524 176.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.625 ' HB3' ' HE2' ' A' ' 53' ' ' LYS . 1.0 OUTLIER -63.91 -16.89 62.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.948 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' TYR . . . . . 0.62 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 56.5 t80 -74.39 -46.82 37.86 Favored 'General case' 0 N--CA 1.438 -1.04 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.305 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.696 ' HG ' ' HG3' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -62.77 -39.17 93.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.706 176.365 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -75.59 -28.9 59.1 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.616 -177.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.603 ' HE2' ' HB3' ' A' ' 49' ' ' GLU . 25.1 ttpp -79.92 -19.81 47.21 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.319 0.58 . . . . 0.0 110.145 176.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.412 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 2.1 tpt180 -100.23 -70.71 0.73 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.797 -175.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 5.5 p30 179.44 -58.15 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.849 -178.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.5 -1.167 . . . . 0.0 111.951 -179.003 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.0 pttm . . . . . 0 N--CA 1.479 0.988 0 CA-C-O 120.564 0.221 . . . . 0.0 111.294 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.504 ' O ' ' HA ' ' B' ' 21' ' ' ASP . 10.6 mt-30 -92.37 146.14 23.92 Favored 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 171.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.2 pptp? -121.31 133.52 55.13 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-O 121.751 0.786 . . . . 0.0 111.63 -172.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.439 ' O ' ' HA ' ' B' ' 19' ' ' TYR . . . -121.08 172.16 8.15 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.48 -1.236 . . . . 0.0 108.834 177.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.427 HG23 ' CD1' ' B' ' 19' ' ' TYR . 2.1 t -110.81 158.87 11.1 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.531 ' O ' ' HA2' ' B' ' 17' ' ' GLY . 3.3 t80 -151.38 118.48 5.9 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 -178.211 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.549 ' HA2' ' O ' ' B' ' 16' ' ' PHE . . . -125.54 96.56 0.5 Allowed Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 111.463 -0.655 . . . . 0.0 111.463 -178.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.728 HD12 HG23 ' B' ' 40' ' ' THR . 35.9 pt -123.72 166.78 18.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.967 0.413 . . . . 0.0 111.875 -174.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.438 ' HA ' ' O ' ' B' ' 14' ' ' ALA . 66.6 m-85 -106.61 95.67 5.91 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.072 175.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.505 ' HB2' ' HG2' ' B' ' 44' ' ' GLU . 23.8 ptm -107.54 159.91 16.07 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.001 -178.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.511 ' HA ' ' O ' ' B' ' 12' ' ' GLN . 0.8 OUTLIER -57.73 155.62 9.83 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.204 0.526 . . . . 0.0 111.207 -179.765 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -79.93 -61.27 2.04 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.886 -177.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -46.84 -37.73 9.18 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.112 0.882 . . . . 0.0 112.0 -176.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.68 HD13 ' CG2' ' B' ' 47' ' ' ILE . 0.5 OUTLIER -76.82 -53.18 8.25 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.852 -178.503 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.435 ' HD2' ' CD1' ' B' ' 16' ' ' PHE . 3.5 ttpm? -60.29 -33.19 72.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.669 0.747 . . . . 0.0 109.586 177.358 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.486 ' O ' HG22 ' A' ' 30' ' ' VAL . 32.3 m -75.5 -34.68 60.86 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.634 -1.167 . . . . 0.0 110.705 -178.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.614 ' HG3' ' HG ' ' B' ' 51' ' ' LEU . 15.6 tpp180 -56.65 -50.59 71.61 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.425 0.631 . . . . 0.0 109.765 172.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.743 HD13 ' HG ' ' A' ' 32' ' ' CYS . 3.2 tm? -62.46 -34.65 77.24 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.87 175.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.459 ' C ' ' HD3' ' A' ' 29' ' ' LYS . 1.1 tmtp? -57.77 -40.48 79.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.188 0.518 . . . . 0.0 109.96 175.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 26' ' ' THR . 96.6 t -67.31 -33.44 62.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.611 0.72 . . . . 0.0 110.731 177.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.436 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 78.3 t80 -65.52 -39.05 91.35 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.846 175.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.743 ' HG ' HD13 ' A' ' 28' ' ' LEU . 76.9 m -74.4 -22.9 58.94 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.916 179.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.32 -37.94 27.55 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.339 0.59 . . . . 0.0 110.176 176.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.569 ' HZ2' ' HB2' ' A' ' 34' ' ' LYS . 4.4 ttmp? -71.01 -43.45 67.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.25 -178.257 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.601 ' HB3' HD13 ' A' ' 37' ' ' LEU . 34.6 m-80 -94.74 0.65 55.15 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.315 -179.111 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 55.88 25.05 8.13 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.335 -173.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.601 HD13 ' HB3' ' A' ' 35' ' ' ASN . 2.3 mp -74.62 166.34 23.73 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.301 0.572 . . . . 0.0 111.515 179.528 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -84.57 134.63 34.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.611 174.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.502 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 0.1 OUTLIER -48.37 -50.28 31.24 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 123.605 0.566 . . . . 0.0 110.809 177.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.752 HG23 HD12 ' B' ' 18' ' ' ILE . 11.4 m -63.16 -48.66 77.47 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.342 -178.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.485 ' NE2' ' HG ' ' A' ' 37' ' ' LEU . 18.6 tt0 -53.56 -40.71 65.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.198 179.037 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.737 ' HB1' HD12 ' A' ' 28' ' ' LEU . . . -66.27 -45.88 78.97 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.125 -179.388 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.506 ' O ' HG23 ' A' ' 47' ' ' ILE . 1.5 mp -57.03 -47.03 84.26 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.204 0 CA-C-O 120.796 0.331 . . . . 0.0 110.557 176.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.493 ' HG2' ' HB2' ' B' ' 20' ' ' MET . 43.6 mt-10 -62.1 -44.87 95.72 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.097 -177.21 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -68.33 -30.93 70.01 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 176.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.829 ' HB3' ' HA ' ' B' ' 47' ' ' ILE . . . -65.19 -56.87 10.39 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.523 177.425 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.822 ' HA ' ' HB3' ' B' ' 46' ' ' ALA . 17.2 tt -65.31 -29.68 47.95 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.148 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.956 -177.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -66.51 -57.61 6.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.056 177.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -69.12 -11.0 60.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.763 -178.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.655 ' CD1' ' HA ' ' B' ' 46' ' ' ALA . 67.0 t80 -76.74 -46.26 26.01 Favored 'General case' 0 N--CA 1.439 -0.981 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.277 176.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.594 ' HG ' ' HG3' ' B' ' 27' ' ' ARG . 0.2 OUTLIER -61.77 -38.38 87.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.251 176.704 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.64 -28.18 58.69 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.797 -178.138 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -76.78 -19.43 57.6 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.181 176.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -108.22 -71.88 0.74 Allowed 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 115.509 -0.768 . . . . 0.0 111.047 -171.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.8 p30 178.23 -62.21 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.277 0.631 . . . . 0.0 110.767 -177.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.919 0 CA-C-O 118.434 -1.203 . . . . 0.0 112.57 -179.641 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 26.1 pttm . . . . . 0 N--CA 1.479 1.02 0 CA-C-O 120.514 0.197 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . 0.511 ' O ' ' HA ' ' A' ' 21' ' ' ASP . 10.8 mt-30 -92.23 146.29 23.82 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 172.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 3.2 pptp? -121.89 132.9 54.81 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-O 121.681 0.753 . . . . 0.0 111.634 -172.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.438 ' O ' ' HA ' ' A' ' 19' ' ' TYR . . . -120.6 172.36 7.91 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 114.681 -1.145 . . . . 0.0 108.783 177.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.433 HG23 ' CD1' ' A' ' 19' ' ' TYR . 2.0 t -110.63 159.04 10.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 178.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . 0.549 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 3.5 t80 -151.35 118.47 5.91 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -178.38 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . 0.531 ' HA2' ' O ' ' A' ' 16' ' ' PHE . . . -125.19 96.77 0.51 Allowed Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 111.517 -0.633 . . . . 0.0 111.517 -179.168 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . 0.752 HD12 HG23 ' A' ' 40' ' ' THR . 37.1 pt -123.85 166.22 19.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.99 0.424 . . . . 0.0 111.944 -174.422 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . 0.439 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 66.2 m-85 -106.35 95.46 5.78 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.949 175.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' MET . . . . . 0.493 ' HB2' ' HG2' ' A' ' 44' ' ' GLU . 24.0 ptm -107.4 160.12 15.88 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.918 -178.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.504 ' HA ' ' O ' ' A' ' 12' ' ' GLN . 0.8 OUTLIER -58.13 155.72 10.74 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 121.214 0.53 . . . . 0.0 111.24 -179.683 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -79.92 -61.53 1.96 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.876 -177.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -46.58 -37.56 8.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.105 0.878 . . . . 0.0 112.03 -176.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . 0.654 HD13 ' CG2' ' A' ' 47' ' ' ILE . 0.5 OUTLIER -76.84 -53.57 7.73 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.87 -178.643 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.434 ' HD2' ' CD1' ' A' ' 16' ' ' PHE . 3.5 ttpm? -59.99 -33.26 71.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.861 0.838 . . . . 0.0 109.698 177.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' THR . . . . . 0.476 ' O ' HG22 ' B' ' 30' ' ' VAL . 41.9 m -75.28 -34.73 61.36 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.435 -1.257 . . . . 0.0 110.829 -178.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.594 ' HG3' ' HG ' ' A' ' 51' ' ' LEU . 15.5 tpp180 -56.8 -50.42 72.4 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.396 0.617 . . . . 0.0 109.783 172.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.749 HD12 ' HB1' ' B' ' 42' ' ' ALA . 3.2 tm? -62.37 -34.78 77.36 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.947 175.425 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.457 ' C ' ' HD3' ' B' ' 29' ' ' LYS . 1.1 tmtp? -57.83 -40.59 80.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.175 0.512 . . . . 0.0 109.916 175.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.476 HG22 ' O ' ' B' ' 26' ' ' THR . 95.8 t -67.04 -33.77 65.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.724 0.773 . . . . 0.0 110.761 177.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' TYR . . . . . 0.438 ' HB3' ' O ' ' B' ' 28' ' ' LEU . 78.2 t80 -65.44 -38.96 91.4 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.862 175.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' CYS . . . . . 0.739 ' HG ' HD13 ' B' ' 28' ' ' LEU . 76.9 m -74.43 -22.99 58.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.954 179.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.1 -38.66 26.91 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.27 0.557 . . . . 0.0 110.118 176.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.574 ' HB2' ' HZ2' ' B' ' 34' ' ' LYS . 4.4 ttmp? -70.22 -43.45 70.61 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.302 -178.236 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . 0.604 ' HB3' HD13 ' B' ' 37' ' ' LEU . 33.8 m-80 -94.8 0.69 55.1 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.287 -178.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 55.9 25.28 8.42 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.185 -173.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.604 HD13 ' HB3' ' B' ' 35' ' ' ASN . 2.4 mp -74.8 166.07 24.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.52 179.431 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -84.16 134.71 34.56 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.611 174.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . 0.508 ' HA ' ' SG ' ' B' ' 32' ' ' CYS . 0.1 OUTLIER -48.54 -50.63 31.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 123.559 0.537 . . . . 0.0 110.743 177.814 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' THR . . . . . 0.728 HG23 HD12 ' A' ' 18' ' ' ILE . 12.9 m -62.66 -48.73 78.06 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.412 -178.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.488 ' NE2' ' HG ' ' B' ' 37' ' ' LEU . 18.4 tt0 -53.41 -40.77 65.35 Favored 'General case' 0 N--CA 1.456 -0.13 0 O-C-N 123.444 0.465 . . . . 0.0 110.437 178.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.749 ' HB1' HD12 ' B' ' 28' ' ' LEU . . . -66.03 -46.11 79.07 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.084 -179.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.521 ' O ' HG23 ' B' ' 47' ' ' ILE . 1.5 mp -56.99 -47.07 84.05 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.182 0 O-C-N 123.114 0.259 . . . . 0.0 110.555 176.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.505 ' HG2' ' HB2' ' A' ' 20' ' ' MET . 43.3 mt-10 -62.01 -44.83 95.88 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.239 -177.482 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -68.4 -30.92 69.95 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 176.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.822 ' HB3' ' HA ' ' A' ' 47' ' ' ILE . . . -65.1 -56.88 10.43 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 121.432 0.634 . . . . 0.0 110.553 177.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.829 ' HA ' ' HB3' ' A' ' 46' ' ' ALA . 17.4 tt -65.31 -29.53 47.5 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.139 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.186 -178.084 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.403 ' HE3' HD22 ' A' ' 24' ' ' LEU . 4.4 tppp? -66.71 -57.47 7.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.034 177.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -69.35 -10.84 59.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.665 -178.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' TYR . . . . . 0.654 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 66.9 t80 -76.7 -46.31 26.06 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.284 176.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.614 ' HG ' ' HG3' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -61.78 -38.49 88.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.14 176.871 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.21 -28.78 60.11 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.173 0.511 . . . . 0.0 110.738 -178.266 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -76.4 -19.46 58.1 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.38 176.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -108.01 -72.34 0.73 Allowed 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.834 -171.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 4.7 p30 178.48 -61.84 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.293 0.637 . . . . 0.0 110.987 -177.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.08 0 CA-C-O 118.593 -1.115 . . . . 0.0 112.579 179.98 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.8 tptt . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 121.457 0.646 . . . . 0.0 110.014 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.663 ' HG3' ' HB3' ' B' ' 22' ' ' LYS . 4.5 pt20 -85.76 133.2 34.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.752 178.587 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.9 pttt -108.22 155.32 20.6 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.274 0.559 . . . . 0.0 111.556 -174.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -139.55 168.54 19.58 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.401 178.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.457 HG23 ' CD1' ' B' ' 19' ' ' TYR . 2.1 t -108.36 160.89 7.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 179.15 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.535 ' O ' ' HA2' ' B' ' 17' ' ' GLY . 1.4 t80 -149.39 124.47 10.06 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -179.115 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.518 ' HA2' ' O ' ' B' ' 16' ' ' PHE . . . -128.67 93.52 0.35 Allowed Glycine 0 N--CA 1.449 -0.49 0 N-CA-C 111.329 -0.708 . . . . 0.0 111.329 179.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.765 HD12 HG21 ' B' ' 40' ' ' THR . 43.6 pt -123.75 165.83 19.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.969 0.414 . . . . 0.0 111.74 -174.21 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.449 ' CD1' HG23 ' B' ' 15' ' ' VAL . 74.2 m-85 -108.89 93.29 4.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.888 175.131 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.469 ' HB2' ' HG2' ' B' ' 44' ' ' GLU . 24.3 ptm -105.27 157.49 17.27 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.813 -177.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.98 150.09 14.16 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 121.479 0.657 . . . . 0.0 111.185 -179.233 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.72 ' HB2' ' HZ3' ' A' ' 22' ' ' LYS . 3.6 ttmp? -78.88 -59.67 2.69 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.992 -174.318 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -48.89 -36.12 16.39 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 123.93 0.769 . . . . 0.0 111.911 -177.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.625 HD11 HG22 ' B' ' 47' ' ' ILE . 0.2 OUTLIER -72.93 -57.88 3.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.449 178.634 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.46 ' HD2' ' CD1' ' B' ' 16' ' ' PHE . 3.0 ttpm? -58.31 -33.94 70.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.661 0.743 . . . . 0.0 109.959 178.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.496 ' O ' HG21 ' A' ' 30' ' ' VAL . 45.9 m -77.38 -30.83 53.89 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.722 -177.426 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.567 ' HG3' ' HG ' ' B' ' 51' ' ' LEU . 18.4 tpp180 -58.72 -54.01 51.91 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.595 0.712 . . . . 0.0 109.307 172.001 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.766 HD11 ' HG ' ' A' ' 32' ' ' CYS . 3.1 tm? -58.3 -36.34 73.2 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 114.842 -1.072 . . . . 0.0 111.378 174.019 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.444 ' C ' ' HD3' ' A' ' 29' ' ' LYS . 1.3 tmtp? -56.8 -42.68 79.93 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.092 0.472 . . . . 0.0 110.018 176.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.496 HG21 ' O ' ' A' ' 26' ' ' THR . 74.5 t -66.4 -33.54 64.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.389 0.614 . . . . 0.0 110.517 177.349 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.45 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 88.4 t80 -64.58 -37.55 87.93 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.333 -0.848 . . . . 0.0 109.59 175.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.766 ' HG ' HD11 ' A' ' 28' ' ' LEU . 81.3 m -74.88 -24.74 58.6 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.035 177.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.23 -33.57 32.76 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.171 0.51 . . . . 0.0 110.299 178.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -75.24 -43.58 50.85 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.42 -179.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.59 ' HB3' HD11 ' A' ' 37' ' ' LEU . 43.1 m-80 -94.34 1.61 55.87 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.358 -179.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 56.0 23.83 7.12 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.122 -174.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.59 HD11 ' HB3' ' A' ' 35' ' ' ASN . 2.5 mp -72.75 164.28 26.79 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.028 178.664 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.451 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . 47.9 mt-30 -85.03 134.65 34.21 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.268 175.189 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.482 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 0.2 OUTLIER -46.23 -52.78 11.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 123.493 0.495 . . . . 0.0 110.938 177.811 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.79 HG21 HD12 ' B' ' 18' ' ' ILE . 6.4 m -58.8 -49.1 78.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.476 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.471 ' NE2' ' HG ' ' A' ' 37' ' ' LEU . 17.9 tt0 -54.21 -39.43 66.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.699 -179.397 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.737 ' HB1' HD13 ' A' ' 28' ' ' LEU . . . -70.86 -42.75 69.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.991 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.5 mp -57.88 -45.83 87.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.965 0.412 . . . . 0.0 110.388 175.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.48 ' HA ' HG23 ' A' ' 47' ' ' ILE . 46.0 mt-10 -63.29 -44.71 94.28 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.944 -178.415 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -65.35 -35.19 80.21 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 175.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.829 ' HB2' ' HA ' ' B' ' 47' ' ' ILE . . . -63.67 -55.14 25.73 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.608 178.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.811 ' HA ' ' HB2' ' B' ' 46' ' ' ALA . 7.0 tt -70.3 -25.11 26.61 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.18 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.985 -176.027 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.595 ' HE2' HE22 ' A' ' 52' ' ' GLN . 0.6 OUTLIER -71.83 -55.03 8.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.941 178.285 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.647 ' HB3' ' HE2' ' B' ' 53' ' ' LYS . 7.5 mt-10 -69.24 -11.7 61.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.553 -179.281 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.604 ' CD1' ' HA ' ' B' ' 46' ' ' ALA . 62.6 t80 -77.32 -47.61 19.54 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.785 176.041 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.578 ' HG ' ' HG3' ' B' ' 27' ' ' ARG . 0.2 OUTLIER -59.68 -39.16 83.59 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.041 175.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.595 HE22 ' HE2' ' A' ' 48' ' ' LYS . 1.2 mp0 -72.51 -38.46 68.08 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.246 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.769 ' HD3' ' HD3' ' B' ' 53' ' ' LYS . 24.9 ttpp -74.18 -14.7 60.99 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.211 0.529 . . . . 0.0 110.406 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.427 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 2.8 tpt180 -104.14 -69.84 0.79 Allowed 'General case' 0 N--CA 1.439 -1.018 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.028 -177.215 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -174.17 -66.12 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.258 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.806 -0.997 . . . . 0.0 112.505 -179.372 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 50.2 tptt . . . . . 0 N--CA 1.478 0.956 0 CA-C-O 121.475 0.655 . . . . 0.0 109.878 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . 0.716 ' HG3' ' HB3' ' A' ' 22' ' ' LYS . 4.5 pt20 -85.49 133.17 34.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.759 178.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -108.39 155.34 20.67 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.41 0.624 . . . . 0.0 111.541 -174.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -139.42 168.23 20.3 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.477 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.449 HG23 ' CD1' ' A' ' 19' ' ' TYR . 2.1 t -108.07 160.4 7.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.113 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . 0.518 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 1.4 t80 -148.97 124.11 10.12 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 -179.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . 0.535 ' HA2' ' O ' ' A' ' 16' ' ' PHE . . . -128.46 93.82 0.36 Allowed Glycine 0 N--CA 1.449 -0.443 0 N-CA-C 111.522 -0.631 . . . . 0.0 111.522 179.297 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . 0.79 HD12 HG21 ' A' ' 40' ' ' THR . 43.7 pt -123.92 165.82 19.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.892 0.377 . . . . 0.0 111.824 -174.265 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . 0.457 ' CD1' HG23 ' A' ' 15' ' ' VAL . 74.0 m-85 -109.07 93.22 4.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.875 175.197 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' MET . . . . . 0.438 ' HB2' ' HG2' ' A' ' 44' ' ' GLU . 24.5 ptm -105.1 157.51 17.2 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.848 -177.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.04 150.11 14.3 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.382 0.611 . . . . 0.0 111.29 -179.338 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.71 ' HZ3' ' HB2' ' B' ' 22' ' ' LYS . 3.5 ttmp? -79.0 -59.64 2.7 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.018 -174.36 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -48.56 -36.26 15.1 Favored 'General case' 0 C--N 1.322 -0.605 0 O-C-N 123.946 0.779 . . . . 0.0 111.85 -177.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . 0.632 HD11 HG22 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -73.06 -57.86 3.73 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.537 178.771 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.463 ' HD2' ' CD1' ' A' ' 16' ' ' PHE . 3.0 ttpm? -58.43 -33.74 70.04 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.641 0.734 . . . . 0.0 110.008 178.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' THR . . . . . 0.497 ' O ' HG21 ' B' ' 30' ' ' VAL . 44.7 m -77.26 -30.98 54.65 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.867 -1.061 . . . . 0.0 110.658 -177.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.578 ' HG3' ' HG ' ' A' ' 51' ' ' LEU . 18.4 tpp180 -58.79 -54.04 51.55 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.508 0.671 . . . . 0.0 109.241 172.241 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.751 ' HG ' HD11 ' A' ' 47' ' ' ILE . 3.1 tm? -58.28 -36.41 73.24 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.419 174.036 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.449 ' C ' ' HD3' ' B' ' 29' ' ' LYS . 1.3 tmtp? -56.7 -42.61 79.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.036 0.446 . . . . 0.0 110.128 176.261 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.497 HG21 ' O ' ' B' ' 26' ' ' THR . 76.9 t -66.41 -33.52 64.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.496 0.665 . . . . 0.0 110.519 177.241 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' TYR . . . . . 0.451 ' HB3' ' O ' ' B' ' 28' ' ' LEU . 88.1 t80 -64.57 -37.71 88.51 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.631 175.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' CYS . . . . . 0.746 ' HG ' HD11 ' B' ' 28' ' ' LEU . 82.4 m -75.05 -24.28 58.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.022 178.178 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.27 -33.9 32.4 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.231 0.539 . . . . 0.0 110.279 178.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -75.02 -43.54 53.08 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.355 -0.838 . . . . 0.0 111.461 -179.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . 0.589 ' HB3' HD11 ' B' ' 37' ' ' LEU . 46.7 m-80 -94.23 1.4 56.01 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.89 0.376 . . . . 0.0 110.26 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 55.75 24.94 7.75 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.955 -174.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.589 HD11 ' HB3' ' B' ' 35' ' ' ASN . 2.5 mp -73.66 164.35 26.77 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.051 178.382 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.468 ' HB2' ' HB2' ' B' ' 41' ' ' GLN . 48.0 mt-30 -84.87 134.85 34.27 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.32 175.147 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . 0.495 ' HA ' ' SG ' ' B' ' 32' ' ' CYS . 0.2 OUTLIER -46.64 -52.58 13.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 123.471 0.482 . . . . 0.0 110.839 178.073 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' THR . . . . . 0.765 HG21 HD12 ' A' ' 18' ' ' ILE . 6.1 m -58.83 -48.81 80.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.533 -179.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.476 ' NE2' ' HG ' ' B' ' 37' ' ' LEU . 18.2 tt0 -54.43 -39.47 67.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.564 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.74 ' HB1' HD13 ' B' ' 28' ' ' LEU . . . -70.93 -42.67 69.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.887 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 1.5 mp -58.18 -45.55 88.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 121.136 0.493 . . . . 0.0 110.451 175.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.469 ' HG2' ' HB2' ' A' ' 20' ' ' MET . 45.2 mt-10 -63.61 -44.46 93.9 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.921 -178.335 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -65.53 -35.15 80.0 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.928 0.395 . . . . 0.0 109.969 175.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.811 ' HB2' ' HA ' ' A' ' 47' ' ' ILE . . . -63.57 -54.95 27.97 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.815 178.475 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.829 ' HA ' ' HB2' ' A' ' 46' ' ' ALA . 6.9 tt -70.43 -25.41 26.93 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.047 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.912 -176.12 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.607 ' HE2' HE22 ' B' ' 52' ' ' GLN . 0.6 OUTLIER -71.72 -54.8 9.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.052 0.453 . . . . 0.0 110.011 178.216 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.63 ' HB3' ' HE2' ' A' ' 53' ' ' LYS . 7.7 mt-10 -69.35 -11.65 60.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.556 -179.22 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' TYR . . . . . 0.595 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 63.2 t80 -77.46 -47.88 18.55 Favored 'General case' 0 N--CA 1.438 -1.066 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.833 175.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.567 ' HG ' ' HG3' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -59.28 -39.46 82.99 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.067 175.874 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.607 HE22 ' HE2' ' B' ' 48' ' ' LYS . 1.2 mp0 -72.14 -38.81 69.13 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.813 0.339 . . . . 0.0 111.256 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.769 ' HD3' ' HD3' ' A' ' 53' ' ' LYS . 25.1 ttpp -73.33 -16.16 61.37 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.211 0.529 . . . . 0.0 110.188 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.429 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 2.8 tpt180 -103.19 -69.94 0.78 Allowed 'General case' 0 N--CA 1.44 -0.927 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.94 -176.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -174.32 -65.65 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.463 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.605 -1.108 . . . . 0.0 112.345 -179.928 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt . . . . . 0 N--CA 1.478 0.947 0 CA-C-O 121.038 0.447 . . . . 0.0 109.917 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.405 ' HG3' ' HB3' ' B' ' 22' ' ' LYS . 4.3 pt20 -112.89 120.56 41.85 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 175.228 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -94.41 146.41 24.09 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.696 0.76 . . . . 0.0 112.544 -168.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.428 ' O ' ' HA ' ' B' ' 19' ' ' TYR . . . -133.8 174.58 10.3 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.316 -1.311 . . . . 0.0 108.686 176.283 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.403 HG21 ' CD1' ' B' ' 19' ' ' TYR . 2.1 t -114.43 159.97 14.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.181 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.524 ' O ' ' HA2' ' B' ' 17' ' ' GLY . 2.3 t80 -149.34 121.6 8.39 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -177.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.513 ' HA2' ' O ' ' B' ' 16' ' ' PHE . . . -126.9 93.54 0.4 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 121.024 -0.608 . . . . 0.0 111.631 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.694 HD13 HG23 ' B' ' 40' ' ' THR . 33.3 pt -122.73 167.26 16.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 120.785 0.326 . . . . 0.0 111.722 -174.258 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.423 ' HA ' ' O ' ' B' ' 14' ' ' ALA . 66.7 m-85 -107.81 93.55 4.6 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.155 176.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.469 ' HE3' ' HB2' ' A' ' 25' ' ' LYS . 26.1 ptm -106.34 158.68 16.7 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.006 -178.162 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -58.2 152.79 16.35 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.308 0.575 . . . . 0.0 111.152 -179.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.415 ' HB3' ' HG3' ' B' ' 12' ' ' GLN . 77.3 tttt -78.47 -61.55 1.97 Allowed 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.847 -177.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -47.58 -35.51 9.23 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.092 0.87 . . . . 0.0 112.415 -176.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.678 HD12 ' CG2' ' B' ' 47' ' ' ILE . 0.6 OUTLIER -78.03 -52.55 8.61 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.497 -179.363 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.469 ' HB2' ' HE3' ' A' ' 20' ' ' MET . 3.3 ttpm? -61.42 -33.57 73.92 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.787 0.803 . . . . 0.0 109.967 177.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.41 ' O ' HG21 ' A' ' 30' ' ' VAL . 22.0 m -74.48 -33.96 62.99 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.539 -1.209 . . . . 0.0 110.903 -177.301 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.405 ' HG3' ' HG ' ' B' ' 51' ' ' LEU . 13.8 tpp180 -56.33 -52.25 65.24 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.375 0.607 . . . . 0.0 109.777 171.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.682 ' HG ' HD11 ' B' ' 47' ' ' ILE . 3.3 tm? -61.19 -37.21 82.15 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.963 176.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.452 ' C ' ' HD3' ' A' ' 29' ' ' LYS . 1.3 tmtp? -54.86 -39.49 68.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.073 0.464 . . . . 0.0 110.343 176.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.41 HG21 ' O ' ' A' ' 26' ' ' THR . 78.4 t -69.11 -34.48 63.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.412 0.625 . . . . 0.0 110.784 177.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.495 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 86.1 t80 -62.37 -39.16 92.27 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.678 175.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.565 ' HG ' ' HA ' ' A' ' 39' ' ' LEU . 80.7 m -72.47 -25.6 61.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.405 178.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.11 -38.11 32.28 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 121.212 0.53 . . . . 0.0 110.187 178.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -77.01 -36.41 56.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.859 -176.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.47 ' HB3' HD13 ' A' ' 37' ' ' LEU . 34.1 m-80 -95.01 -1.05 53.17 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.003 0.43 . . . . 0.0 110.162 178.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.2 m120 57.61 25.6 11.85 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.829 -174.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.47 HD13 ' HB3' ' A' ' 35' ' ' ASN . 1.9 mp -76.1 165.47 24.87 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.186 178.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -88.31 135.56 33.4 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.448 174.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.565 ' HA ' ' HG ' ' A' ' 32' ' ' CYS . 0.1 OUTLIER -46.73 -50.86 17.37 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 123.484 0.49 . . . . 0.0 110.732 178.333 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.711 HG23 HD13 ' B' ' 18' ' ' ILE . 5.0 m -60.63 -49.37 77.78 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.503 -179.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.425 ' NE2' ' HG ' ' A' ' 37' ' ' LEU . 24.0 tt0 -55.62 -38.09 69.04 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.939 0.4 . . . . 0.0 110.515 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.682 ' HB1' HD13 ' A' ' 28' ' ' LEU . . . -67.61 -45.55 75.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.172 179.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.475 ' O ' HG21 ' A' ' 47' ' ' ILE . 1.5 mp -57.53 -46.43 86.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.828 0.347 . . . . 0.0 110.473 175.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.423 ' HA ' HG21 ' A' ' 47' ' ' ILE . 46.8 mt-10 -62.38 -43.52 98.62 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.027 -178.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -63.05 -38.9 93.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.059 0.457 . . . . 0.0 109.979 173.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.769 ' HB3' ' HA ' ' B' ' 47' ' ' ILE . . . -62.23 -54.97 33.14 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.761 -179.304 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.767 ' HA ' ' HB3' ' B' ' 46' ' ' ALA . 19.9 tt -69.8 -23.83 26.15 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.148 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.292 -177.192 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.753 ' HE2' HE22 ' A' ' 52' ' ' GLN . 0.6 OUTLIER -71.98 -60.61 2.14 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 177.186 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.42 -21.46 25.33 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.644 175.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.651 ' CD1' ' HA ' ' B' ' 46' ' ' ALA . 60.4 t80 -70.51 -51.93 25.37 Favored 'General case' 0 N--CA 1.439 -1.024 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.618 -177.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.466 HD22 ' HB2' ' B' ' 28' ' ' LEU . 0.2 OUTLIER -58.42 -37.14 74.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.146 178.569 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.753 HE22 ' HE2' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -77.15 -35.53 56.01 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.473 -0.491 . . . . 0.0 111.417 -178.891 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -71.26 -23.32 61.96 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.377 0.608 . . . . 0.0 110.812 178.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.425 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 0.9 OUTLIER -100.88 -65.52 0.96 Allowed 'General case' 0 N--CA 1.436 -1.157 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.177 -171.682 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -174.11 -66.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.484 -178.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.884 0 CA-C-O 118.962 -0.91 . . . . 0.0 111.392 -175.717 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . 0.415 ' HG3' ' HB3' ' A' ' 22' ' ' LYS . 4.2 pt20 -113.4 120.42 41.0 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 175.242 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -94.4 146.23 24.21 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.778 0.799 . . . . 0.0 112.652 -168.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.423 ' O ' ' HA ' ' A' ' 19' ' ' TYR . . . -133.65 174.57 10.3 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.266 -1.334 . . . . 0.0 108.687 176.39 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.403 HG21 ' CD1' ' A' ' 19' ' ' TYR . 2.1 t -114.7 159.54 14.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.24 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . 0.513 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 2.3 t80 -148.94 121.71 8.68 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -177.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . 0.524 ' HA2' ' O ' ' A' ' 16' ' ' PHE . . . -127.13 93.14 0.39 Allowed Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.926 -0.654 . . . . 0.0 111.666 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . 0.711 HD13 HG23 ' A' ' 40' ' ' THR . 33.0 pt -122.33 167.29 16.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.855 0.36 . . . . 0.0 111.685 -173.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . 0.428 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 66.8 m-85 -107.91 93.49 4.56 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.057 177.182 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' MET . . . . . 0.451 ' HE3' ' HB2' ' B' ' 25' ' ' LYS . 26.1 ptm -106.37 158.91 16.54 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.027 -178.09 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -58.46 152.58 17.65 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.114 0.483 . . . . 0.0 111.082 -179.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.405 ' HB3' ' HG3' ' A' ' 12' ' ' GLN . 77.8 tttt -78.4 -61.73 1.91 Allowed 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 115.707 -0.678 . . . . 0.0 109.885 -177.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -47.2 -35.73 7.88 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 124.036 0.835 . . . . 0.0 112.412 -176.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . 0.66 HD12 ' CG2' ' A' ' 47' ' ' ILE . 0.6 OUTLIER -77.84 -52.66 8.52 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.435 -179.245 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.451 ' HB2' ' HE3' ' B' ' 20' ' ' MET . 3.3 ttpm? -61.35 -33.5 73.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.618 0.723 . . . . 0.0 109.955 177.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' THR . . . . . 0.415 ' O ' HG21 ' B' ' 30' ' ' VAL . 22.5 m -74.82 -33.46 62.2 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.76 -1.109 . . . . 0.0 110.818 -177.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.431 ' HG3' ' HG ' ' A' ' 51' ' ' LEU . 13.7 tpp180 -56.87 -51.91 67.2 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.346 0.593 . . . . 0.0 109.606 171.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.683 HD13 ' HB1' ' B' ' 42' ' ' ALA . 3.3 tm? -61.44 -37.02 82.02 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.153 -0.931 . . . . 0.0 111.052 176.329 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.46 ' C ' ' HD3' ' B' ' 29' ' ' LYS . 1.3 tmtp? -55.09 -39.21 69.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.074 0.464 . . . . 0.0 110.504 177.046 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.415 HG21 ' O ' ' B' ' 26' ' ' THR . 80.4 t -69.33 -34.6 63.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.534 0.683 . . . . 0.0 110.75 177.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' TYR . . . . . 0.491 ' HB3' ' O ' ' B' ' 28' ' ' LEU . 85.6 t80 -62.09 -39.44 92.47 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.691 175.4 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' CYS . . . . . 0.576 ' HG ' ' HA ' ' B' ' 39' ' ' LEU . 82.3 m -72.21 -25.87 61.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.233 178.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.81 -38.13 33.64 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 121.424 0.63 . . . . 0.0 110.285 178.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -77.03 -36.76 55.94 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.778 -177.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . 0.474 ' HB3' HD13 ' B' ' 37' ' ' LEU . 35.4 m-80 -94.86 -0.56 53.94 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.358 178.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 18.5 m120 57.39 25.17 10.99 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.821 -174.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.474 HD13 ' HB3' ' B' ' 35' ' ' ASN . 2.0 mp -75.84 165.31 25.19 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.213 178.562 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -88.4 135.45 33.46 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.423 174.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . 0.576 ' HA ' ' HG ' ' B' ' 32' ' ' CYS . 0.1 OUTLIER -46.38 -50.94 15.87 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 123.515 0.509 . . . . 0.0 110.814 178.296 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' THR . . . . . 0.694 HG23 HD13 ' A' ' 18' ' ' ILE . 5.3 m -60.65 -49.33 77.94 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.443 -179.186 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.439 ' NE2' ' HG ' ' B' ' 37' ' ' LEU . 24.0 tt0 -55.61 -38.0 68.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.918 0.389 . . . . 0.0 110.466 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.683 ' HB1' HD13 ' B' ' 28' ' ' LEU . . . -67.72 -45.68 74.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.079 179.362 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.48 ' O ' HG21 ' B' ' 47' ' ' ILE . 1.5 mp -57.44 -46.4 85.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 120.866 0.365 . . . . 0.0 110.465 175.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.428 ' HG2' ' HB2' ' A' ' 20' ' ' MET . 47.2 mt-10 -62.66 -43.21 99.39 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.028 -178.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -63.29 -38.89 92.93 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.049 0.452 . . . . 0.0 109.967 173.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.767 ' HB3' ' HA ' ' A' ' 47' ' ' ILE . . . -62.24 -55.0 32.72 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.777 -179.393 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.769 ' HA ' ' HB3' ' A' ' 46' ' ' ALA . 20.0 tt -69.69 -23.89 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.128 0 CA-C-N 115.349 -0.842 . . . . 0.0 111.325 -177.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.745 ' HE2' HE22 ' B' ' 52' ' ' GLN . 0.5 OUTLIER -71.91 -60.46 2.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.137 177.049 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.7 -21.3 26.83 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.703 175.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' TYR . . . . . 0.647 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 60.4 t80 -70.6 -51.92 24.96 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.748 -178.266 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.454 HD22 ' HB2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -58.34 -37.06 74.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.134 178.439 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.745 HE22 ' HE2' ' B' ' 48' ' ' LYS . 0.8 OUTLIER -77.23 -35.44 55.52 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.589 -0.445 . . . . 0.0 111.461 -178.905 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -71.07 -23.98 62.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.502 0.668 . . . . 0.0 110.582 178.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.432 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 0.9 OUTLIER -100.44 -65.88 0.94 Allowed 'General case' 0 N--CA 1.435 -1.224 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.004 -171.298 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -173.94 -66.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.534 -178.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.751 0 CA-C-O 118.771 -1.016 . . . . 0.0 111.67 -176.128 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.3 mttt . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 120.341 0.115 . . . . 0.0 110.775 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 71.09 -50.24 0.68 Allowed 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.446 0.699 . . . . 0.0 112.877 174.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -103.01 157.04 17.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.344 0.592 . . . . 0.0 111.372 -174.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.421 ' O ' ' HA ' ' B' ' 19' ' ' TYR . . . -139.45 169.02 18.52 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.817 176.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.441 HG21 ' CD1' ' B' ' 19' ' ' TYR . 2.2 t -109.19 161.27 7.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 177.093 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.604 ' O ' ' HA2' ' B' ' 17' ' ' GLY . 2.7 t80 -152.82 120.31 5.97 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -178.17 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.602 ' HA2' ' O ' ' B' ' 16' ' ' PHE . . . -126.81 96.57 0.46 Allowed Glycine 0 N--CA 1.451 -0.362 0 O-C-N 123.605 0.566 . . . . 0.0 111.704 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.738 HD11 HG22 ' B' ' 40' ' ' THR . 36.2 pt -124.78 169.23 16.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -174.155 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.449 ' CD1' HG21 ' B' ' 15' ' ' VAL . 75.5 m-85 -108.84 96.47 6.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.275 177.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.436 ' HB2' ' HG2' ' B' ' 44' ' ' GLU . 23.7 ptm -110.77 156.21 21.41 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.991 -177.431 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -59.68 153.8 19.36 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.203 0.525 . . . . 0.0 111.826 -176.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -77.17 -60.88 2.18 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.394 -174.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -50.67 -34.48 26.7 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 123.754 0.658 . . . . 0.0 111.638 -176.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.627 HD11 ' CG2' ' B' ' 47' ' ' ILE . 0.5 OUTLIER -76.16 -56.11 4.95 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.811 -179.784 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.404 ' N ' HD12 ' A' ' 24' ' ' LEU . 3.0 ttpm? -60.14 -31.81 70.43 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.809 0.814 . . . . 0.0 109.558 178.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.482 ' O ' HG22 ' A' ' 30' ' ' VAL . 95.0 m -78.81 -32.71 46.41 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.563 -1.198 . . . . 0.0 110.726 -177.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.581 ' HG3' ' HG ' ' B' ' 51' ' ' LEU . 13.2 tpp180 -56.9 -50.29 72.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.467 0.651 . . . . 0.0 109.58 171.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.749 HD13 ' HG ' ' A' ' 32' ' ' CYS . 3.2 tm? -63.13 -34.53 77.81 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.836 175.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.449 ' C ' ' HD3' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -57.54 -40.76 79.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.964 0.411 . . . . 0.0 110.085 175.657 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 26' ' ' THR . 85.0 t -67.39 -33.66 63.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.56 0.695 . . . . 0.0 110.724 177.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.403 ' HB3' HD21 ' A' ' 28' ' ' LEU . 69.2 t80 -65.03 -38.81 92.09 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.854 175.373 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.749 ' HG ' HD13 ' A' ' 28' ' ' LEU . 69.6 m -75.65 -21.36 57.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.764 178.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.08 -35.66 31.41 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.135 0.493 . . . . 0.0 110.152 176.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.551 ' HZ3' ' HB2' ' A' ' 34' ' ' LYS . 4.2 ttmp? -70.65 -46.74 62.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.318 -179.067 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.43 ' HB3' HD13 ' A' ' 37' ' ' LEU . 39.1 m-80 -94.2 1.27 56.06 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.255 -178.316 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 57.32 22.72 8.07 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.903 -174.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.435 ' HG ' ' NE2' ' A' ' 41' ' ' GLN . 1.4 mp -70.2 166.4 20.08 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.358 0.599 . . . . 0.0 111.512 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -87.58 132.69 33.98 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.418 175.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.469 HD13 ' CZ ' ' B' ' 16' ' ' PHE . 0.1 OUTLIER -45.72 -49.94 14.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 123.678 0.611 . . . . 0.0 111.063 179.668 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.748 HG22 HD11 ' B' ' 18' ' ' ILE . 7.0 m -61.24 -48.87 79.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.579 -178.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.435 ' NE2' ' HG ' ' A' ' 37' ' ' LEU . 25.2 tt0 -55.83 -37.84 69.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.084 0.469 . . . . 0.0 110.567 -179.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.701 ' HB1' HD12 ' A' ' 28' ' ' LEU . . . -68.5 -45.54 72.05 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.049 179.108 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.483 ' O ' HG22 ' A' ' 47' ' ' ILE . 1.5 mp -57.2 -46.94 84.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.736 0.303 . . . . 0.0 110.505 176.344 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.444 ' HG2' ' HB2' ' B' ' 20' ' ' MET . 45.5 mt-10 -62.37 -44.99 95.17 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.968 -177.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -65.04 -33.84 77.0 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.859 0.361 . . . . 0.0 110.221 175.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.773 ' HB2' ' HA ' ' B' ' 47' ' ' ILE . . . -64.15 -56.13 16.92 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.594 178.458 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.763 ' HA ' ' HB2' ' B' ' 46' ' ' ALA . 19.1 tt -66.36 -30.06 48.63 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.029 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.355 -178.006 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.519 ' HD3' HE22 ' A' ' 52' ' ' GLN . 14.0 tppt? -67.75 -55.4 13.22 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.074 178.251 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -70.23 -11.71 61.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.778 0.323 . . . . 0.0 110.778 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.638 ' CD1' ' HA ' ' B' ' 46' ' ' ALA . 60.7 t80 -76.88 -45.92 26.43 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.084 177.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.577 ' HG ' ' HG3' ' B' ' 27' ' ' ARG . 0.2 OUTLIER -60.87 -37.81 83.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.398 177.101 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.519 HE22 ' HD3' ' A' ' 48' ' ' LYS . 1.1 mp0 -77.49 -28.11 52.13 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.305 -0.558 . . . . 0.0 111.227 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -73.59 -16.3 61.25 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.496 0.665 . . . . 0.0 109.856 174.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -110.39 -75.57 0.62 Allowed 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.807 -174.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.8 p30 176.74 -58.76 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.574 -175.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.696 -1.058 . . . . 0.0 112.664 178.293 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 98.2 mttt . . . . . 0 N--CA 1.478 0.951 0 CA-C-O 120.233 0.063 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 71.12 -50.15 0.68 Allowed 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.624 0.77 . . . . 0.0 112.766 174.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -103.17 157.42 17.01 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.415 0.626 . . . . 0.0 111.276 -173.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.411 ' O ' ' HA ' ' A' ' 19' ' ' TYR . . . -139.75 169.51 17.59 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.694 177.008 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.449 HG21 ' CD1' ' A' ' 19' ' ' TYR . 2.3 t -109.64 161.38 8.04 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 177.365 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . 0.602 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 2.8 t80 -152.89 120.24 5.91 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 -178.225 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . 0.604 ' HA2' ' O ' ' A' ' 16' ' ' PHE . . . -126.85 96.37 0.45 Allowed Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 111.572 -0.611 . . . . 0.0 111.572 -179.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . 0.748 HD11 HG22 ' A' ' 40' ' ' THR . 35.8 pt -124.42 169.28 15.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.92 0.39 . . . . 0.0 111.916 -174.324 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . 0.441 ' CD1' HG21 ' A' ' 15' ' ' VAL . 75.5 m-85 -108.79 96.37 6.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.22 177.689 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' MET . . . . . 0.444 ' HB2' ' HG2' ' A' ' 44' ' ' GLU . 23.9 ptm -110.59 156.21 21.26 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.828 -177.265 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -59.4 153.94 18.03 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.311 0.577 . . . . 0.0 111.805 -176.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -77.35 -60.69 2.26 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.565 -174.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -50.44 -34.99 26.65 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 123.793 0.683 . . . . 0.0 111.594 -176.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . 0.619 HD11 ' CG2' ' A' ' 47' ' ' ILE . 0.5 OUTLIER -76.0 -55.89 5.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.854 -179.521 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.41 ' N ' HD12 ' B' ' 24' ' ' LEU . 3.0 ttpm? -60.37 -31.9 70.78 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.793 0.806 . . . . 0.0 109.537 178.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' THR . . . . . 0.494 ' O ' HG22 ' B' ' 30' ' ' VAL . 97.5 m -78.44 -32.75 48.67 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.503 -1.226 . . . . 0.0 110.627 -177.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.577 ' HG3' ' HG ' ' A' ' 51' ' ' LEU . 13.2 tpp180 -57.31 -50.13 73.91 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.344 0.592 . . . . 0.0 109.486 172.082 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.749 HD13 ' HG ' ' B' ' 32' ' ' CYS . 3.1 tm? -63.16 -34.53 77.83 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.91 175.174 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.449 ' C ' ' HD3' ' B' ' 29' ' ' LYS . 0.9 OUTLIER -57.5 -40.92 79.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.092 0.472 . . . . 0.0 109.948 175.611 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.494 HG22 ' O ' ' B' ' 26' ' ' THR . 86.6 t -67.37 -33.8 64.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.463 0.649 . . . . 0.0 110.688 178.047 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -64.89 -38.78 92.11 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.884 175.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' CYS . . . . . 0.749 ' HG ' HD13 ' B' ' 28' ' ' LEU . 69.3 m -75.34 -21.87 58.05 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.68 178.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.45 -36.05 34.1 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.168 0.508 . . . . 0.0 110.011 176.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.552 ' HZ3' ' HB2' ' B' ' 34' ' ' LYS . 4.2 ttmp? -70.38 -46.8 63.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.404 -178.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . 0.429 ' HB3' HD13 ' B' ' 37' ' ' LEU . 37.9 m-80 -94.37 1.3 55.87 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.298 -178.17 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 59.9 m-80 57.84 22.15 8.29 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.97 -175.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.429 HD13 ' HB3' ' B' ' 35' ' ' ASN . 1.4 mp -70.07 165.82 21.09 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.463 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -87.33 132.71 33.85 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.533 175.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . 0.454 HD13 ' CZ ' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -45.66 -50.25 13.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 123.727 0.642 . . . . 0.0 111.049 179.717 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' THR . . . . . 0.738 HG22 HD11 ' A' ' 18' ' ' ILE . 6.9 m -60.91 -49.04 79.08 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.642 -178.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.416 ' NE2' ' HG ' ' B' ' 37' ' ' LEU . 25.4 tt0 -55.87 -37.93 69.44 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.431 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.705 ' HB1' HD12 ' B' ' 28' ' ' LEU . . . -68.35 -45.69 72.15 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.043 179.043 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.488 ' O ' HG22 ' B' ' 47' ' ' ILE . 1.5 mp -57.01 -47.21 83.89 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.153 0 CA-C-O 120.787 0.327 . . . . 0.0 110.536 176.184 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.436 ' HG2' ' HB2' ' A' ' 20' ' ' MET . 44.9 mt-10 -62.13 -45.0 95.38 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.111 -177.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -65.06 -33.96 77.28 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 175.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.763 ' HB2' ' HA ' ' A' ' 47' ' ' ILE . . . -64.03 -56.27 16.24 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.563 178.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.773 ' HA ' ' HB2' ' A' ' 46' ' ' ALA . 19.1 tt -66.22 -30.16 49.01 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.067 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.224 -177.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.498 ' CD ' HE22 ' B' ' 52' ' ' GLN . 14.0 tppt? -67.85 -55.46 12.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.995 178.462 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -70.08 -11.77 61.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.815 0.34 . . . . 0.0 110.797 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' TYR . . . . . 0.622 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 61.0 t80 -76.87 -45.94 26.41 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.168 178.116 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.581 ' HG ' ' HG3' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -60.93 -37.64 83.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.493 176.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.498 HE22 ' CD ' ' B' ' 48' ' ' LYS . 1.1 mp0 -77.74 -27.62 50.53 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.198 -0.601 . . . . 0.0 111.433 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -73.92 -16.25 61.11 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.578 0.704 . . . . 0.0 109.828 174.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -110.4 -74.99 0.63 Allowed 'General case' 0 N--CA 1.44 -0.941 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.119 -174.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 4.0 p30 176.55 -59.35 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.653 0.781 . . . . 0.0 110.454 -175.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.643 -1.087 . . . . 0.0 112.636 178.451 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.406 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 2.5 mptp? . . . . . 0 N--CA 1.481 1.114 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -67.85 135.78 53.07 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 174.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -106.8 158.01 17.31 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.566 0.698 . . . . 0.0 112.343 -170.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -134.56 171.25 14.58 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.571 -1.195 . . . . 0.0 109.036 175.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.426 HG22 ' CD1' ' B' ' 19' ' ' TYR . 2.5 t -109.51 162.94 6.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.508 ' O ' ' HA2' ' B' ' 17' ' ' GLY . 3.2 t80 -151.83 121.11 6.77 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.518 ' HA2' ' O ' ' B' ' 16' ' ' PHE . . . -128.46 95.89 0.4 Allowed Glycine 0 N--CA 1.45 -0.406 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 -179.044 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.744 HD13 HG23 ' B' ' 40' ' ' THR . 41.8 pt -124.92 173.34 11.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.931 0.396 . . . . 0.0 111.475 -173.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.446 ' CD1' HG22 ' B' ' 15' ' ' VAL . 79.7 m-85 -117.07 101.45 8.49 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.097 179.184 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 22.0 ptm -115.27 158.04 22.91 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.306 -175.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.56 157.95 6.42 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.123 0.487 . . . . 0.0 111.867 -178.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.0 tttm -76.66 -65.16 0.97 Allowed 'General case' 0 C--O 1.214 -0.772 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.207 -178.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -46.3 -39.12 9.58 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.911 0.757 . . . . 0.0 112.157 -174.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.676 HD11 ' CG2' ' B' ' 47' ' ' ILE . 0.8 OUTLIER -71.3 -55.98 6.94 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.792 179.659 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.43 ' N ' HD12 ' A' ' 24' ' ' LEU . 3.8 ttpm? -61.5 -32.55 72.58 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 121.809 0.814 . . . . 0.0 109.906 178.468 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.452 ' O ' HG22 ' A' ' 30' ' ' VAL . 54.0 m -74.27 -37.72 63.63 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.666 -1.152 . . . . 0.0 110.773 -177.126 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.701 ' HG3' ' HG ' ' B' ' 51' ' ' LEU . 15.9 tpp180 -56.25 -50.48 71.2 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.691 173.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.693 HD11 ' HB2' ' A' ' 42' ' ' ALA . 3.0 tm? -61.84 -36.59 81.63 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.068 175.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.497 ' C ' ' HD3' ' A' ' 29' ' ' LYS . 0.7 OUTLIER -57.67 -40.34 79.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.123 0.487 . . . . 0.0 110.003 176.091 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.452 HG22 ' O ' ' A' ' 26' ' ' THR . 85.5 t -69.49 -32.43 52.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.608 0.718 . . . . 0.0 110.86 177.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.407 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 85.2 t80 -64.83 -38.55 91.37 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.7 174.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.675 ' HG ' HD12 ' A' ' 28' ' ' LEU . 69.2 m -74.86 -16.98 60.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.654 177.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.17 -34.53 20.5 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.21 0.529 . . . . 0.0 110.055 176.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.545 ' HZ3' ' HB2' ' A' ' 34' ' ' LYS . 4.2 ttmp? -72.74 -46.11 55.2 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.244 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -94.16 3.46 55.24 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.207 -178.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 53.53 25.28 4.66 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.328 -173.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 mp -72.64 164.45 26.46 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.361 0.6 . . . . 0.0 111.512 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -86.24 134.3 33.78 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.407 174.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.482 HD12 ' CZ ' ' B' ' 16' ' ' PHE . 0.2 OUTLIER -46.24 -50.48 15.89 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 123.657 0.598 . . . . 0.0 111.044 178.019 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.753 HG23 HD13 ' B' ' 18' ' ' ILE . 17.3 m -61.95 -47.85 83.0 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.095 -178.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -56.92 -37.6 71.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.544 179.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.693 ' HB2' HD11 ' A' ' 28' ' ' LEU . . . -68.5 -45.97 70.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.192 178.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.508 ' O ' HG22 ' A' ' 47' ' ' ILE . 1.5 mp -56.4 -46.64 82.05 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.185 0 CA-C-O 120.656 0.265 . . . . 0.0 110.34 176.303 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.465 ' HA ' HG22 ' A' ' 47' ' ' ILE . 45.6 mt-10 -62.17 -42.17 99.01 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.973 -179.2 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -62.42 -41.63 98.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.191 0.519 . . . . 0.0 109.895 173.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.752 ' HB2' ' HA ' ' B' ' 47' ' ' ILE . . . -61.3 -54.27 46.09 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.751 -178.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.762 ' HA ' ' HB2' ' B' ' 46' ' ' ALA . 20.3 tt -69.79 -24.87 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.17 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.022 -177.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.655 ' HE2' HE22 ' A' ' 52' ' ' GLN . 1.5 tpmt? -70.88 -61.04 1.91 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.123 177.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.07 -22.48 50.49 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.161 177.602 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.623 ' CD1' ' HA ' ' B' ' 46' ' ' ALA . 55.4 t80 -69.35 -51.48 36.49 Favored 'General case' 0 N--CA 1.439 -1.008 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.625 -178.376 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.668 ' HG ' ' HG3' ' B' ' 27' ' ' ARG . 0.2 OUTLIER -60.21 -35.56 75.68 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.314 178.085 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.655 HE22 ' HE2' ' A' ' 48' ' ' LYS . 1.8 mp0 -75.75 -36.71 59.8 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.688 -0.405 . . . . 0.0 111.153 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -70.49 -19.42 62.94 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.338 0.59 . . . . 0.0 110.184 177.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.451 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -104.59 -75.64 0.62 Allowed 'General case' 0 N--CA 1.436 -1.175 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.38 -174.314 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.7 p30 177.57 -54.71 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.104 0.562 . . . . 0.0 111.287 -177.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.768 -1.018 . . . . 0.0 112.6 178.836 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.41 ' HD2' ' N ' ' B' ' 11' ' ' LYS . 2.5 mptp? . . . . . 0 N--CA 1.479 0.982 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -68.11 135.83 52.78 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 174.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -107.07 158.52 17.0 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.424 0.631 . . . . 0.0 112.224 -170.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -134.93 171.19 14.75 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.672 -1.149 . . . . 0.0 108.891 176.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.446 HG22 ' CD1' ' A' ' 19' ' ' TYR . 2.5 t -109.56 163.04 6.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 179.533 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . 0.518 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 3.2 t80 -151.99 121.14 6.71 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . 0.508 ' HA2' ' O ' ' A' ' 16' ' ' PHE . . . -128.19 96.13 0.41 Allowed Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 111.431 -0.668 . . . . 0.0 111.431 -179.143 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . 0.753 HD13 HG23 ' A' ' 40' ' ' THR . 42.2 pt -125.01 173.36 11.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.984 0.421 . . . . 0.0 111.39 -173.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . 0.426 ' CD1' HG22 ' A' ' 15' ' ' VAL . 79.4 m-85 -117.13 101.66 8.65 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.077 178.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 22.0 ptm -115.15 158.07 22.74 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.342 -176.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.92 158.17 6.88 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.162 0.506 . . . . 0.0 111.809 -178.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -76.81 -64.89 1.02 Allowed 'General case' 0 C--O 1.215 -0.742 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.237 -178.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -46.55 -39.05 10.3 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 123.939 0.775 . . . . 0.0 111.968 -174.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . 0.659 HD11 ' CG2' ' A' ' 47' ' ' ILE . 0.8 OUTLIER -71.37 -55.58 7.69 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.798 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.434 ' N ' HD12 ' B' ' 24' ' ' LEU . 3.9 ttpm? -61.88 -32.25 72.6 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 121.724 0.773 . . . . 0.0 109.894 178.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' THR . . . . . 0.447 ' O ' HG22 ' B' ' 30' ' ' VAL . 54.8 m -74.59 -37.89 62.76 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.678 -1.146 . . . . 0.0 110.537 -177.068 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.668 ' HG3' ' HG ' ' A' ' 51' ' ' LEU . 15.9 tpp180 -55.84 -50.94 69.19 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.631 173.502 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.699 HD11 ' HB2' ' B' ' 42' ' ' ALA . 3.0 tm? -61.7 -36.35 80.66 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.162 175.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.497 ' C ' ' HD3' ' B' ' 29' ' ' LYS . 0.7 OUTLIER -57.63 -40.59 79.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.088 0.471 . . . . 0.0 109.953 175.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.447 HG22 ' O ' ' B' ' 26' ' ' THR . 84.8 t -69.28 -32.85 55.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.716 177.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' TYR . . . . . 0.406 ' HB3' ' O ' ' B' ' 28' ' ' LEU . 84.6 t80 -64.5 -38.82 92.34 Favored 'General case' 0 C--N 1.313 -1.022 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.557 174.449 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' CYS . . . . . 0.672 ' HG ' HD12 ' B' ' 28' ' ' LEU . 70.7 m -74.68 -17.2 60.71 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.705 178.135 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.13 -34.36 20.62 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.335 0.588 . . . . 0.0 109.978 176.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.541 ' HZ3' ' HB2' ' B' ' 34' ' ' LYS . 4.2 ttmp? -72.67 -46.33 54.43 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.113 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -94.16 3.37 55.38 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.201 -178.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 53.55 25.79 5.11 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.16 -174.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 mp -72.97 164.77 26.19 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-O 121.338 0.59 . . . . 0.0 111.489 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -86.71 134.61 33.58 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.118 -0.946 . . . . 0.0 109.214 174.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . 0.479 HD12 ' CZ ' ' A' ' 16' ' ' PHE . 0.2 OUTLIER -46.53 -50.41 17.23 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 123.602 0.564 . . . . 0.0 111.019 178.036 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' THR . . . . . 0.744 HG23 HD13 ' A' ' 18' ' ' ILE . 18.0 m -61.93 -47.64 84.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.227 -179.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -57.16 -37.51 72.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.448 179.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.699 ' HB2' HD11 ' B' ' 28' ' ' LEU . . . -68.57 -45.93 70.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.132 178.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.507 ' O ' HG22 ' B' ' 47' ' ' ILE . 1.5 mp -56.63 -46.25 82.74 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.261 0 CA-C-O 120.708 0.289 . . . . 0.0 110.318 176.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.452 ' HA ' HG22 ' B' ' 47' ' ' ILE . 47.1 mt-10 -62.41 -42.0 99.1 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.052 -179.183 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -62.45 -41.61 98.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.339 0.59 . . . . 0.0 109.768 173.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.762 ' HB2' ' HA ' ' A' ' 47' ' ' ILE . . . -61.24 -54.33 45.57 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.707 -178.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.752 ' HA ' ' HB2' ' A' ' 46' ' ' ALA . 20.4 tt -69.62 -24.95 27.68 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.206 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.028 -177.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.665 ' HE2' HE22 ' B' ' 52' ' ' GLN . 1.5 tpmt? -71.01 -60.78 2.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.292 177.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.29 -22.42 52.75 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 177.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' TYR . . . . . 0.628 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 55.9 t80 -69.34 -51.6 35.35 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.571 -178.431 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.701 ' HG ' ' HG3' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -60.51 -34.75 74.53 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.551 178.023 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.665 HE22 ' HE2' ' B' ' 48' ' ' LYS . 1.8 mp0 -76.23 -36.72 58.41 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.094 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -71.0 -18.59 62.59 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.459 0.647 . . . . 0.0 110.349 177.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.448 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 0.3 OUTLIER -105.12 -75.42 0.63 Allowed 'General case' 0 N--CA 1.435 -1.175 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.502 -174.708 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 5.8 p30 177.36 -54.99 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.21 -177.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.951 0 CA-C-O 118.999 -0.889 . . . . 0.0 112.548 178.879 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.4 mttt . . . . . 0 N--CA 1.48 1.057 0 CA-C-O 120.826 0.346 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.57 ' OE1' ' HD3' ' B' ' 22' ' ' LYS . 22.5 pt20 -73.59 123.26 23.64 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 177.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -107.46 145.29 33.23 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.768 -171.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -134.14 162.15 32.91 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.503 176.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.415 HG23 ' CD1' ' B' ' 19' ' ' TYR . 2.2 t -102.28 160.28 4.17 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 -178.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.537 ' O ' ' HA2' ' B' ' 17' ' ' GLY . 2.3 t80 -146.85 123.27 11.01 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.454 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.521 ' HA2' ' O ' ' B' ' 16' ' ' PHE . . . -131.43 90.95 0.28 Allowed Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.527 -177.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.719 HD11 HG21 ' B' ' 40' ' ' THR . 47.3 pt -122.51 162.99 21.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.844 0.354 . . . . 0.0 111.413 -174.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.448 ' CD1' HG23 ' B' ' 15' ' ' VAL . 63.8 m-85 -108.28 94.47 5.08 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.839 -0.618 . . . . 0.0 109.968 175.087 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.788 ' SD ' ' HB2' ' A' ' 25' ' ' LYS . 1.8 ptp -98.87 178.81 4.84 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.879 177.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.7 158.18 35.15 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 121.206 0.527 . . . . 0.0 110.932 176.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.529 ' HD3' ' OE1' ' B' ' 12' ' ' GLN . 51.0 tttm -78.91 -59.11 2.91 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.583 -177.392 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -47.6 -38.83 15.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.03 0.831 . . . . 0.0 111.873 -175.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.649 HD11 HG23 ' B' ' 47' ' ' ILE . 0.9 OUTLIER -73.78 -59.02 2.91 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.751 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.788 ' HB2' ' SD ' ' A' ' 20' ' ' MET . 3.1 ttpm? -51.85 -38.15 54.85 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.965 0.888 . . . . 0.0 109.732 176.217 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.462 ' O ' HG22 ' A' ' 30' ' ' VAL . 98.8 m -75.89 -32.12 59.53 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.09 -1.414 . . . . 0.0 110.904 -175.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.491 ' HG3' ' HG ' ' B' ' 51' ' ' LEU . 17.7 tpp180 -57.95 -53.76 54.63 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.28 172.053 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.715 HD12 ' HB1' ' A' ' 42' ' ' ALA . 3.0 tm? -60.1 -36.16 76.82 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.325 174.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.408 ' C ' ' HD3' ' A' ' 29' ' ' LYS . 13.6 tmtt? -56.05 -45.14 79.35 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.117 0.484 . . . . 0.0 110.579 176.267 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.462 HG22 ' O ' ' A' ' 26' ' ' THR . 90.6 t -66.67 -34.02 67.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.482 0.658 . . . . 0.0 110.655 179.13 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.402 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 91.3 t80 -63.1 -39.06 93.59 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.697 174.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.712 ' HG ' HD13 ' A' ' 28' ' ' LEU . 71.9 m -69.16 -36.62 77.58 Favored 'General case' 0 C--O 1.216 -0.687 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.725 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.85 -37.93 73.15 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 121.325 0.583 . . . . 0.0 110.563 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -71.96 -37.99 69.85 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.66 -177.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.539 ' HB3' HD13 ' A' ' 37' ' ' LEU . 34.8 m-80 -96.09 -1.35 48.83 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.585 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 60.92 24.24 14.28 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.61 -174.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.539 HD13 ' HB3' ' A' ' 35' ' ' ASN . 2.6 mp -75.93 163.66 26.97 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.034 178.051 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -91.66 134.1 34.99 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.372 176.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.437 HD13 ' CZ ' ' B' ' 16' ' ' PHE . 0.2 OUTLIER -45.3 -51.5 10.9 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 123.496 0.498 . . . . 0.0 111.3 178.621 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.722 HG21 HD11 ' B' ' 18' ' ' ILE . 14.5 m -60.15 -47.73 84.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.017 -179.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.438 ' NE2' ' HG ' ' A' ' 37' ' ' LEU . 18.3 tt0 -56.6 -38.78 72.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.264 179.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.715 ' HB1' HD12 ' A' ' 28' ' ' LEU . . . -69.73 -44.24 70.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.162 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.468 HG22 HD12 ' B' ' 18' ' ' ILE . 1.5 mp -58.34 -46.22 89.23 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.362 0 CA-C-O 120.535 0.207 . . . . 0.0 110.518 175.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.574 ' HG2' ' HB2' ' B' ' 20' ' ' MET . 46.9 mt-10 -61.15 -44.55 97.14 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.668 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -61.16 -40.91 95.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.007 0.432 . . . . 0.0 109.893 174.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.736 ' HB2' ' HA ' ' B' ' 47' ' ' ILE . . . -63.1 -54.09 43.41 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.623 -179.027 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.727 ' HA ' ' HB2' ' B' ' 46' ' ' ALA . 21.1 tt -69.46 -27.0 32.49 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.987 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.073 -177.408 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.732 ' HE2' HE22 ' A' ' 52' ' ' GLN . 0.6 OUTLIER -70.79 -56.39 6.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.894 0.378 . . . . 0.0 110.454 179.15 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -72.76 -9.1 58.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.826 -177.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.613 ' CD1' ' HA ' ' B' ' 46' ' ' ALA . 66.9 t80 -76.15 -45.3 34.21 Favored 'General case' 0 N--CA 1.434 -1.235 0 CA-C-N 116.114 -0.493 . . . . 0.0 109.854 176.216 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.471 ' HG ' ' HG3' ' B' ' 27' ' ' ARG . 0.2 OUTLIER -60.6 -38.41 84.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.169 175.534 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.732 HE22 ' HE2' ' A' ' 48' ' ' LYS . 1.2 mp0 -75.65 -35.92 60.3 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.6 -0.44 . . . . 0.0 111.522 -179.102 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 60.0 tttt -71.15 -19.82 62.38 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.424 0.631 . . . . 0.0 110.187 176.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.525 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 2.1 tpt180 -99.5 -72.33 0.67 Allowed 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.062 -174.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -173.9 -61.36 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.343 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.946 0 CA-C-O 118.486 -1.175 . . . . 0.0 112.252 -179.139 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 95.7 mttt . . . . . 0 N--CA 1.482 1.148 0 CA-C-O 120.857 0.36 . . . . 0.0 110.708 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . 0.529 ' OE1' ' HD3' ' A' ' 22' ' ' LYS . 22.2 pt20 -73.62 123.41 23.97 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.689 177.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -107.73 145.17 33.83 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.713 -171.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -134.03 162.08 33.07 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.551 177.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.448 HG23 ' CD1' ' A' ' 19' ' ' TYR . 2.2 t -102.12 160.07 4.16 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.054 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 -178.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . 0.521 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 2.3 t80 -146.7 123.21 11.07 Favored 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.251 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . 0.537 ' HA2' ' O ' ' A' ' 16' ' ' PHE . . . -130.95 90.99 0.29 Allowed Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.995 -0.621 . . . . 0.0 111.616 -178.093 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . 0.722 HD11 HG21 ' A' ' 40' ' ' THR . 47.5 pt -122.48 163.06 21.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 120.737 0.303 . . . . 0.0 111.352 -174.346 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . 0.415 ' CD1' HG23 ' A' ' 15' ' ' VAL . 64.1 m-85 -108.26 95.06 5.41 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.898 174.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' MET . . . . . 0.777 ' SD ' ' HB2' ' B' ' 25' ' ' LYS . 1.7 ptp -99.33 178.87 4.76 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.812 177.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.65 158.07 35.42 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-O 121.148 0.499 . . . . 0.0 110.778 177.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.57 ' HD3' ' OE1' ' A' ' 12' ' ' GLN . 51.2 tttm -78.73 -59.43 2.78 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.63 -177.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -47.47 -38.67 14.18 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.023 0.827 . . . . 0.0 111.905 -175.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . 0.661 HD21 ' SD ' ' B' ' 20' ' ' MET . 0.9 OUTLIER -73.97 -58.93 2.97 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.738 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.777 ' HB2' ' SD ' ' B' ' 20' ' ' MET . 3.1 ttpm? -51.86 -38.42 55.9 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.936 0.874 . . . . 0.0 109.731 176.036 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' THR . . . . . 0.454 ' O ' HG22 ' B' ' 30' ' ' VAL . 99.2 m -75.5 -32.17 60.45 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.093 -1.412 . . . . 0.0 110.82 -175.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.471 ' HG3' ' HG ' ' A' ' 51' ' ' LEU . 17.8 tpp180 -58.04 -53.82 53.92 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 172.151 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.728 HD13 ' HG ' ' B' ' 32' ' ' CYS . 3.0 tm? -60.21 -35.85 76.33 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.407 174.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.4 ' HD3' ' C ' ' B' ' 29' ' ' LYS . 13.6 tmtt? -56.26 -45.0 80.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.11 0.481 . . . . 0.0 110.517 176.2 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.454 HG22 ' O ' ' B' ' 26' ' ' THR . 93.4 t -66.79 -34.15 68.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.418 0.628 . . . . 0.0 110.599 179.166 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -62.89 -39.01 93.2 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.765 174.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' CYS . . . . . 0.728 ' HG ' HD13 ' B' ' 28' ' ' LEU . 72.0 m -69.27 -36.34 77.0 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.012 179.17 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.96 -37.82 72.78 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 121.32 0.581 . . . . 0.0 110.588 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -72.32 -37.69 68.86 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.648 -177.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . 0.531 ' HB3' HD13 ' B' ' 37' ' ' LEU . 35.5 m-80 -96.42 -1.12 48.17 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.591 179.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 60.49 24.5 14.12 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.547 -174.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.531 HD13 ' HB3' ' B' ' 35' ' ' ASN . 2.7 mp -76.2 163.31 27.19 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.965 178.03 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -91.19 134.28 34.68 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.415 176.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . 0.428 HD13 ' CZ ' ' A' ' 16' ' ' PHE . 0.2 OUTLIER -45.22 -51.45 10.67 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 123.426 0.454 . . . . 0.0 111.265 178.334 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' THR . . . . . 0.719 HG21 HD11 ' A' ' 18' ' ' ILE . 15.1 m -60.12 -47.87 84.1 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.98 -179.279 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.439 ' NE2' ' HG ' ' B' ' 37' ' ' LEU . 18.0 tt0 -56.31 -38.98 72.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.505 179.349 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.688 ' HB1' HD12 ' B' ' 28' ' ' LEU . . . -69.78 -44.2 70.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.215 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.475 HG12 ' HE2' ' A' ' 16' ' ' PHE . 1.5 mp -58.34 -46.36 89.18 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 CA-C-O 120.626 0.251 . . . . 0.0 110.349 175.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.544 ' HG2' ' HB2' ' A' ' 20' ' ' MET . 47.3 mt-10 -61.16 -44.94 96.52 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.664 -179.481 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -60.61 -40.87 93.43 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.249 0.547 . . . . 0.0 109.877 174.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.727 ' HB2' ' HA ' ' A' ' 47' ' ' ILE . . . -63.25 -54.18 41.4 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.62 -178.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.736 ' HA ' ' HB2' ' A' ' 46' ' ' ALA . 21.2 tt -69.28 -27.12 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.99 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.056 -177.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.726 ' HE2' HE22 ' B' ' 52' ' ' GLN . 0.6 OUTLIER -70.75 -56.22 6.87 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 121.156 0.503 . . . . 0.0 110.556 179.368 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -72.65 -9.67 58.88 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.808 -177.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' TYR . . . . . 0.608 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 66.6 t80 -75.72 -45.01 39.06 Favored 'General case' 0 N--CA 1.434 -1.243 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.824 176.398 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.491 ' HG ' ' HG3' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -61.01 -38.39 85.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.953 175.815 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.726 HE22 ' HE2' ' B' ' 48' ' ' LYS . 1.3 mp0 -75.62 -35.77 60.42 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.526 -0.47 . . . . 0.0 111.423 -179.021 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 60.7 tttt -71.47 -19.81 62.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.406 0.622 . . . . 0.0 110.109 176.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.527 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 2.2 tpt180 -99.35 -72.2 0.67 Allowed 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.037 -174.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -173.95 -61.36 0.02 OUTLIER 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.384 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.915 0 CA-C-O 118.649 -1.084 . . . . 0.0 112.24 -179.197 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt . . . . . 0 N--CA 1.479 1.008 0 CA-C-O 120.379 0.133 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -69.2 134.81 49.71 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 174.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -107.5 157.47 17.99 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.442 0.639 . . . . 0.0 111.715 -169.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -137.1 168.04 20.36 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.205 176.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.435 HG21 ' CD1' ' B' ' 19' ' ' TYR . 2.4 t -106.56 162.68 5.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.49 ' O ' ' HA2' ' B' ' 17' ' ' GLY . 3.4 t80 -152.24 124.59 8.22 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.483 ' HA2' ' O ' ' B' ' 16' ' ' PHE . . . -131.16 98.92 0.4 Allowed Glycine 0 N--CA 1.45 -0.367 0 N-CA-C 111.615 -0.594 . . . . 0.0 111.615 -179.303 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.764 HD13 HG22 ' B' ' 40' ' ' THR . 45.1 pt -127.37 171.56 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.747 0.308 . . . . 0.0 111.652 -174.242 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.448 ' CD1' HG21 ' B' ' 15' ' ' VAL . 73.8 m-85 -115.52 96.76 5.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.023 176.511 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.43 ' HB2' ' HG2' ' B' ' 44' ' ' GLU . 21.3 ptm -107.37 163.18 13.26 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.504 -177.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.77 156.75 10.59 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.078 0.466 . . . . 0.0 111.284 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -79.19 -63.09 1.5 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.806 -177.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -48.19 -39.39 20.81 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 123.874 0.734 . . . . 0.0 111.631 -175.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.701 HD13 HG23 ' B' ' 47' ' ' ILE . 0.2 OUTLIER -68.4 -58.08 4.89 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.719 179.486 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.465 ' HD2' ' CD1' ' B' ' 16' ' ' PHE . 3.3 ttpm? -59.68 -33.88 72.14 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.453 0.644 . . . . 0.0 110.1 178.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.484 ' O ' HG23 ' A' ' 30' ' ' VAL . 19.7 m -75.42 -34.23 60.99 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.556 -177.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.519 ' HG3' ' HG ' ' B' ' 51' ' ' LEU . 16.7 tpp180 -57.58 -54.08 50.92 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.49 0.662 . . . . 0.0 109.48 173.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.683 HD13 ' HG ' ' A' ' 32' ' ' CYS . 3.1 tm? -58.86 -36.12 74.08 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.443 174.513 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.404 ' C ' ' HD3' ' A' ' 29' ' ' LYS . 1.4 tmtp? -57.96 -42.46 85.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.979 0.418 . . . . 0.0 110.029 176.205 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 26' ' ' THR . 94.9 t -66.74 -34.71 71.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.572 177.407 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.433 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 91.3 t80 -62.58 -39.1 92.63 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.767 175.471 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.683 ' HG ' HD13 ' A' ' 28' ' ' LEU . 80.9 m -72.33 -32.06 66.2 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.123 179.537 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.2 -37.09 58.25 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.286 0.565 . . . . 0.0 110.437 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -74.21 -38.6 63.53 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.37 -177.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -94.81 0.48 54.91 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.155 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 57.56 23.63 9.47 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.055 -175.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mp -72.95 168.01 19.87 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.042 177.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -90.47 132.95 35.37 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.308 174.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.546 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 0.1 OUTLIER -45.73 -51.58 12.31 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 123.716 0.635 . . . . 0.0 110.683 178.802 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.775 HG22 HD13 ' B' ' 18' ' ' ILE . 10.4 m -59.59 -49.2 78.69 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.643 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.536 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 23.9 tt0 -55.84 -38.37 69.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.113 0.483 . . . . 0.0 110.528 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.651 ' HB2' HD12 ' A' ' 28' ' ' LEU . . . -67.36 -44.61 78.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.747 179.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.436 ' O ' HG21 ' A' ' 47' ' ' ILE . 1.5 mp -58.21 -46.21 88.7 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.251 0 CA-C-O 120.941 0.4 . . . . 0.0 110.319 175.11 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.465 ' HA ' HG21 ' A' ' 47' ' ' ILE . 47.8 mt-10 -62.02 -41.95 98.64 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.185 -178.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.536 ' HG2' ' O ' ' A' ' 41' ' ' GLN . 10.5 mm-40 -69.0 -34.09 74.72 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 175.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.727 ' HB3' ' HA ' ' B' ' 47' ' ' ILE . . . -63.9 -54.91 27.33 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.527 178.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.728 ' HA ' ' HB3' ' B' ' 46' ' ' ALA . 20.8 tt -69.08 -24.79 28.55 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.209 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.073 -177.177 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.572 ' HE2' HE22 ' A' ' 52' ' ' GLN . 0.6 OUTLIER -74.05 -57.48 3.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.072 178.302 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -62.08 -16.51 52.67 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 176.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.646 ' CD1' ' HA ' ' B' ' 46' ' ' ALA . 56.9 t80 -71.67 -52.55 17.31 Favored 'General case' 0 N--CA 1.439 -0.975 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.231 177.101 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.535 ' HG ' ' HG3' ' B' ' 27' ' ' ARG . 0.2 OUTLIER -58.11 -33.68 69.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.353 177.509 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.572 HE22 ' HE2' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -77.27 -36.8 54.0 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.693 0.282 . . . . 0.0 110.948 178.567 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -71.63 -15.83 62.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.468 0.651 . . . . 0.0 110.025 178.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -106.11 -75.3 0.63 Allowed 'General case' 0 N--CA 1.435 -1.19 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.09 -176.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -175.29 -60.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.992 -177.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.845 0 CA-C-O 118.751 -1.027 . . . . 0.0 112.267 178.776 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt . . . . . 0 N--CA 1.482 1.146 0 N-CA-C 110.848 -0.056 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -68.41 134.6 50.44 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 174.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -107.35 157.44 17.95 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.374 0.607 . . . . 0.0 111.652 -169.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -137.41 167.87 20.75 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.938 -1.028 . . . . 0.0 109.155 176.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.448 HG21 ' CD1' ' A' ' 19' ' ' TYR . 2.4 t -106.43 162.7 5.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . 0.483 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 3.4 t80 -152.16 123.73 7.84 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.856 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . 0.49 ' HA2' ' O ' ' A' ' 16' ' ' PHE . . . -130.06 99.61 0.45 Allowed Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 111.496 -0.642 . . . . 0.0 111.496 -179.506 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . 0.775 HD13 HG22 ' A' ' 40' ' ' THR . 45.4 pt -127.65 171.83 15.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.941 0.4 . . . . 0.0 111.776 -174.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . 0.435 ' CD1' HG21 ' A' ' 15' ' ' VAL . 73.5 m-85 -115.82 96.89 5.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.989 176.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' MET . . . . . 0.449 ' HB2' ' HG2' ' A' ' 44' ' ' GLU . 21.4 ptm -107.52 163.02 13.42 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.477 -177.41 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.67 156.51 10.78 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.171 0.51 . . . . 0.0 111.216 179.199 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -79.01 -63.45 1.42 Allowed 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.774 -177.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -47.71 -39.86 18.69 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 123.878 0.736 . . . . 0.0 111.691 -175.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . 0.684 HD13 HG23 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -68.16 -58.13 4.94 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.716 179.567 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.454 ' HD2' ' CD1' ' A' ' 16' ' ' PHE . 3.3 ttpm? -59.52 -33.79 71.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.52 0.676 . . . . 0.0 110.158 178.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' THR . . . . . 0.478 ' O ' HG23 ' B' ' 30' ' ' VAL . 19.7 m -75.59 -34.29 60.63 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.723 -177.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.535 ' HG3' ' HG ' ' A' ' 51' ' ' LEU . 16.9 tpp180 -57.44 -54.35 47.83 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.556 0.693 . . . . 0.0 109.603 173.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.678 HD13 ' HG ' ' B' ' 32' ' ' CYS . 3.1 tm? -58.55 -36.2 73.53 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.35 174.449 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.411 ' C ' ' HD3' ' B' ' 29' ' ' LYS . 1.3 tmtp? -58.03 -42.3 85.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.97 0.414 . . . . 0.0 109.998 176.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.478 HG23 ' O ' ' B' ' 26' ' ' THR . 92.5 t -66.9 -34.72 71.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.456 0.646 . . . . 0.0 110.479 177.454 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' TYR . . . . . 0.426 ' HB3' ' O ' ' B' ' 28' ' ' LEU . 91.4 t80 -62.65 -39.05 92.68 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.796 175.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' CYS . . . . . 0.678 ' HG ' HD13 ' B' ' 28' ' ' LEU . 77.6 m -72.17 -32.37 66.78 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.145 179.333 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.87 -37.36 59.0 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.294 0.569 . . . . 0.0 110.394 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -73.73 -38.83 64.65 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.404 -177.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -94.61 0.26 55.02 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.233 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 57.46 24.07 9.8 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.514 -0.767 . . . . 0.0 111.076 -175.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mp -73.2 167.84 20.35 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.114 177.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -90.52 132.7 35.54 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.301 174.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . 0.551 ' HA ' ' SG ' ' B' ' 32' ' ' CYS . 0.1 OUTLIER -45.57 -51.27 12.21 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 123.624 0.578 . . . . 0.0 110.669 179.06 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' THR . . . . . 0.764 HG22 HD13 ' A' ' 18' ' ' ILE . 8.9 m -59.64 -49.42 77.82 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.673 -179.167 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.535 ' O ' ' HG2' ' B' ' 45' ' ' GLU . 24.0 tt0 -55.9 -38.34 70.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.367 -179.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.643 ' HB2' HD12 ' B' ' 28' ' ' LEU . . . -67.36 -44.81 78.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.773 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.442 HG22 HD11 ' A' ' 18' ' ' ILE . 1.5 mp -57.96 -46.18 87.75 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.234 0 CA-C-O 120.903 0.383 . . . . 0.0 110.408 174.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.444 ' HA ' HG21 ' B' ' 47' ' ' ILE . 47.6 mt-10 -62.19 -41.96 98.84 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.093 -178.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.535 ' HG2' ' O ' ' B' ' 41' ' ' GLN . 9.3 mm-40 -69.3 -33.74 73.65 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 175.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.728 ' HB3' ' HA ' ' A' ' 47' ' ' ILE . . . -63.88 -54.84 28.47 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.53 178.542 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.727 ' HA ' ' HB3' ' A' ' 46' ' ' ALA . 20.9 tt -69.36 -24.46 27.66 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.119 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.003 -176.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.56 ' HE2' HE22 ' B' ' 52' ' ' GLN . 0.6 OUTLIER -74.12 -57.47 3.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.292 -0.413 . . . . 0.0 109.893 178.374 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -62.21 -16.66 54.73 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 176.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' TYR . . . . . 0.629 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 56.9 t80 -71.53 -52.7 16.88 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.301 177.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.519 ' HG ' ' HG3' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -57.97 -33.51 68.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.345 177.316 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.56 HE22 ' HE2' ' B' ' 48' ' ' LYS . 1.0 OUTLIER -77.62 -36.63 51.47 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.872 178.668 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -71.8 -15.79 62.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.452 0.644 . . . . 0.0 109.956 178.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -106.06 -74.92 0.64 Allowed 'General case' 0 N--CA 1.436 -1.126 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.188 -176.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -175.42 -60.47 0.01 OUTLIER 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.92 -178.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.512 -1.16 . . . . 0.0 112.133 179.472 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.0 pttt . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 69.4 -76.71 0.06 Allowed 'General case' 0 N--CA 1.463 0.223 0 O-C-N 123.862 0.726 . . . . 0.0 110.596 179.463 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -108.16 153.95 22.43 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.305 0.574 . . . . 0.0 111.122 -176.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.416 ' O ' ' HA ' ' B' ' 19' ' ' TYR . . . -137.2 169.19 18.19 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.734 177.185 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.411 HG23 ' CD1' ' B' ' 19' ' ' TYR . 2.2 t -110.02 161.14 8.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 179.064 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.574 ' O ' ' HA2' ' B' ' 17' ' ' GLY . 1.6 t80 -148.68 130.28 14.94 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.32 -0.4 . . . . 0.0 109.932 -177.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.585 ' HA2' ' O ' ' B' ' 16' ' ' PHE . . . -134.5 94.31 0.26 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.689 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.666 HD13 HG21 ' B' ' 40' ' ' THR . 43.6 pt -126.17 168.5 18.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.856 0.36 . . . . 0.0 111.83 -174.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.419 ' CD1' HG23 ' B' ' 15' ' ' VAL . 65.2 m-85 -109.37 97.35 6.95 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.959 176.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 22.6 ptm -108.59 156.73 19.19 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.264 -177.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -60.67 154.78 20.56 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.214 0.53 . . . . 0.0 112.359 -175.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -74.43 -64.51 1.01 Allowed 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.968 -174.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -49.92 -38.56 36.75 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 123.857 0.723 . . . . 0.0 111.541 -176.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.657 HD11 ' CG2' ' B' ' 47' ' ' ILE . 0.7 OUTLIER -68.91 -56.48 7.76 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.784 -179.836 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.441 ' N ' HD12 ' A' ' 24' ' ' LEU . 3.2 ttpm? -62.63 -30.29 71.25 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 121.751 0.786 . . . . 0.0 109.525 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.461 ' O ' HG21 ' A' ' 30' ' ' VAL . 20.9 m -74.83 -40.2 61.19 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.581 -1.19 . . . . 0.0 111.206 -177.344 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.479 ' HG3' ' HG ' ' B' ' 51' ' ' LEU . 12.3 tpp180 -55.59 -47.33 76.66 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.333 0.587 . . . . 0.0 110.045 173.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.7 HD11 ' HG ' ' A' ' 32' ' ' CYS . 3.2 tm? -65.01 -35.61 81.74 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.817 176.607 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.46 ' C ' ' HD3' ' A' ' 29' ' ' LYS . 1.2 tmtp? -57.1 -39.16 74.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.091 0.472 . . . . 0.0 110.008 175.537 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.461 HG21 ' O ' ' A' ' 26' ' ' THR . 57.7 t -68.74 -33.32 58.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.513 0.673 . . . . 0.0 110.819 177.555 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.424 ' HB3' HD23 ' A' ' 28' ' ' LEU . 90.6 t80 -65.79 -37.74 87.11 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.753 175.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.7 ' HG ' HD11 ' A' ' 28' ' ' LEU . 74.3 m -73.42 -19.53 60.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.834 177.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.39 -39.59 20.48 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.208 0.528 . . . . 0.0 109.947 175.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.571 ' HZ3' ' HB2' ' A' ' 34' ' ' LYS . 4.2 ttmp? -69.67 -43.45 72.53 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.499 -178.141 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.568 ' HB3' HD13 ' A' ' 37' ' ' LEU . 34.1 m-80 -95.92 1.07 52.69 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.299 -179.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 55.14 24.36 6.12 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.694 -173.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.588 ' HG ' ' NE2' ' A' ' 41' ' ' GLN . 3.4 mp -69.71 163.85 24.77 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.417 0.627 . . . . 0.0 111.76 177.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -87.09 136.14 33.03 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.295 -0.866 . . . . 0.0 108.954 171.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.431 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 0.2 OUTLIER -45.21 -47.45 12.63 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 123.546 0.529 . . . . 0.0 111.043 179.696 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.698 HG21 HD13 ' B' ' 18' ' ' ILE . 9.6 m -62.25 -49.13 76.94 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.512 -179.196 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.588 ' NE2' ' HG ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -57.36 -36.19 70.88 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.024 0.44 . . . . 0.0 110.379 -179.352 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.635 ' HB3' HD13 ' A' ' 28' ' ' LEU . . . -69.12 -45.88 69.07 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.92 178.596 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.511 ' O ' HG22 ' A' ' 47' ' ' ILE . 1.5 mp -57.03 -45.58 83.95 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-O 120.718 0.294 . . . . 0.0 110.439 175.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.471 ' HA ' HG22 ' A' ' 47' ' ' ILE . 43.3 mt-10 -63.19 -47.2 83.6 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.901 -178.23 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -59.16 -36.99 76.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.826 0.346 . . . . 0.0 110.42 172.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.783 ' HB3' ' HA ' ' B' ' 47' ' ' ILE . . . -63.13 -56.88 13.05 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.586 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.799 ' HA ' ' HB3' ' B' ' 46' ' ' ALA . 19.7 tt -67.8 -27.94 39.74 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.103 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.316 -178.039 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.449 ' HE3' HD22 ' B' ' 24' ' ' LEU . 2.5 tpmt? -69.81 -59.46 2.92 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.407 176.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -62.76 -13.93 38.83 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 177.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.685 ' CD1' ' HA ' ' B' ' 46' ' ' ALA . 53.2 t80 -73.29 -54.15 9.09 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.708 179.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.49 HD21 ' O ' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -57.51 -37.73 73.46 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.003 179.301 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -78.6 -26.99 45.49 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.249 -179.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -76.51 -18.48 58.7 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.133 0.492 . . . . 0.0 110.162 175.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -108.85 -71.0 0.78 Allowed 'General case' 0 N--CA 1.44 -0.927 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.736 -172.461 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -179.26 -62.09 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.403 -177.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.929 0 CA-C-O 118.718 -1.045 . . . . 0.0 111.827 -176.255 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 65.3 pttt . . . . . 0 N--CA 1.482 1.132 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 70.08 -76.65 0.06 Allowed 'General case' 0 N--CA 1.465 0.288 0 O-C-N 123.884 0.74 . . . . 0.0 110.439 179.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -108.57 153.76 22.91 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.241 0.543 . . . . 0.0 111.151 -175.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.407 ' O ' ' HA ' ' A' ' 19' ' ' TYR . . . -136.97 169.2 18.18 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.634 177.548 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.419 HG23 ' CD1' ' A' ' 19' ' ' TYR . 2.2 t -109.72 161.58 7.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 178.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . 0.585 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 1.6 t80 -148.97 130.37 14.74 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 116.231 -0.44 . . . . 0.0 109.849 -177.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . 0.574 ' HA2' ' O ' ' A' ' 16' ' ' PHE . . . -134.69 94.29 0.25 Allowed Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 121.079 -0.581 . . . . 0.0 111.69 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . 0.698 HD13 HG21 ' A' ' 40' ' ' THR . 43.9 pt -126.09 168.8 18.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -174.232 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . 0.416 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 64.9 m-85 -109.75 97.22 6.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.893 176.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 22.6 ptm -108.6 156.77 19.16 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.339 -177.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -60.78 154.9 20.64 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.213 0.53 . . . . 0.0 112.343 -175.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -74.4 -64.7 0.97 Allowed 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.84 -174.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -49.87 -38.24 34.53 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 123.807 0.692 . . . . 0.0 111.411 -176.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . 0.662 HD11 ' CG2' ' A' ' 47' ' ' ILE . 0.7 OUTLIER -69.38 -56.41 7.56 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.715 -179.56 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.434 ' N ' HD12 ' B' ' 24' ' ' LEU . 3.2 ttpm? -62.73 -29.96 71.07 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-O 121.73 0.776 . . . . 0.0 109.534 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' THR . . . . . 0.465 ' O ' HG21 ' B' ' 30' ' ' VAL . 22.1 m -74.92 -40.42 60.87 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.532 -1.213 . . . . 0.0 111.046 -177.37 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.482 ' HG3' ' HG ' ' A' ' 51' ' ' LEU . 12.3 tpp180 -55.72 -47.16 77.36 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.316 0.579 . . . . 0.0 109.983 173.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.693 HD11 ' HG ' ' B' ' 32' ' ' CYS . 3.2 tm? -65.16 -35.36 80.84 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.959 176.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.459 ' C ' ' HD3' ' B' ' 29' ' ' LYS . 1.3 tmtp? -57.35 -39.03 75.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.005 0.431 . . . . 0.0 110.034 175.512 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.465 HG21 ' O ' ' B' ' 26' ' ' THR . 58.9 t -68.8 -33.64 60.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.676 0.75 . . . . 0.0 110.713 177.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' TYR . . . . . 0.426 ' HB3' HD23 ' B' ' 28' ' ' LEU . 90.3 t80 -65.63 -37.6 87.04 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.664 176.041 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' CYS . . . . . 0.693 ' HG ' HD11 ' B' ' 28' ' ' LEU . 80.9 m -73.62 -19.71 60.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.904 177.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.94 -40.24 20.37 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.284 0.564 . . . . 0.0 109.848 175.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.582 ' HZ3' ' HB2' ' B' ' 34' ' ' LYS . 4.2 ttmp? -68.9 -43.94 74.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.366 -178.04 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . 0.586 ' HB3' HD13 ' B' ' 37' ' ' LEU . 35.5 m-80 -95.62 1.04 53.47 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.225 -179.13 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 55.31 23.8 5.93 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.557 -174.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.586 HD13 ' HB3' ' B' ' 35' ' ' ASN . 3.3 mp -69.36 163.83 24.28 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.389 0.614 . . . . 0.0 111.659 177.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -86.94 136.63 32.87 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.283 -0.871 . . . . 0.0 108.801 171.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . 0.441 ' HA ' ' SG ' ' B' ' 32' ' ' CYS . 0.2 OUTLIER -45.64 -47.19 14.9 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 123.663 0.602 . . . . 0.0 110.964 179.675 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' THR . . . . . 0.666 HG21 HD13 ' A' ' 18' ' ' ILE . 10.2 m -62.52 -49.11 76.65 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.567 -179.321 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.582 ' NE2' ' HG ' ' B' ' 37' ' ' LEU . 0.0 OUTLIER -57.21 -36.24 70.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.056 0.455 . . . . 0.0 110.548 -179.597 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.634 ' HB3' HD13 ' B' ' 28' ' ' LEU . . . -68.96 -46.14 68.88 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.842 178.672 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.506 ' O ' HG22 ' B' ' 47' ' ' ILE . 1.5 mp -57.09 -45.58 84.23 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.297 0 CA-C-O 120.541 0.21 . . . . 0.0 110.494 175.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.455 ' HA ' HG22 ' B' ' 47' ' ' ILE . 43.0 mt-10 -63.06 -46.97 84.98 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 -178.47 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -59.31 -36.74 76.17 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.779 0.324 . . . . 0.0 110.452 172.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.799 ' HB3' ' HA ' ' A' ' 47' ' ' ILE . . . -63.59 -56.77 13.32 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.453 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.783 ' HA ' ' HB3' ' A' ' 46' ' ' ALA . 19.7 tt -67.79 -27.89 39.59 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.033 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.323 -178.207 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.446 ' HE3' HD22 ' A' ' 24' ' ' LEU . 2.5 tpmt? -69.99 -59.29 3.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.442 176.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -62.64 -14.09 39.39 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 177.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' TYR . . . . . 0.673 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 53.4 t80 -73.48 -54.32 8.53 Favored 'General case' 0 N--CA 1.439 -1.024 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.621 179.317 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.495 HD21 ' O ' ' B' ' 47' ' ' ILE . 0.2 OUTLIER -57.26 -37.66 72.69 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.07 179.211 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -78.97 -26.72 43.45 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.477 -178.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -76.61 -18.4 58.64 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.335 0.588 . . . . 0.0 110.202 175.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -108.71 -71.22 0.77 Allowed 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.742 -172.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -179.4 -61.93 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.542 -177.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.703 -1.054 . . . . 0.0 112.005 -176.278 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.577 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.42 HG22 ' CD1' ' B' ' 19' ' ' TYR . 2.2 t -108.97 162.17 6.9 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 178.445 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.557 ' O ' ' HA2' ' B' ' 17' ' ' GLY . 2.6 t80 -150.77 124.03 8.88 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.066 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.545 ' HA2' ' O ' ' B' ' 16' ' ' PHE . . . -129.81 96.02 0.37 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 121.066 -0.587 . . . . 0.0 111.745 -179.507 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.724 HD12 HG23 ' B' ' 40' ' ' THR . 35.5 pt -125.12 166.81 20.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.979 0.419 . . . . 0.0 112.054 -174.48 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.44 ' CD1' HG22 ' B' ' 15' ' ' VAL . 62.2 m-85 -107.63 94.32 5.02 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.073 176.282 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 23.0 ptm -106.4 161.5 14.52 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.933 -178.208 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.08 155.85 19.41 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.071 0.462 . . . . 0.0 111.332 -178.074 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -76.77 -63.62 1.31 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.478 -175.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -50.05 -39.13 41.01 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 123.811 0.694 . . . . 0.0 111.922 -175.205 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.701 HD23 ' HE3' ' B' ' 48' ' ' LYS . 0.5 OUTLIER -70.21 -54.98 10.47 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.715 -179.746 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.433 ' N ' HD13 ' A' ' 24' ' ' LEU . 3.4 ttpm? -62.02 -32.84 73.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.714 0.769 . . . . 0.0 109.845 179.297 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.489 ' O ' HG23 ' A' ' 30' ' ' VAL . 18.4 m -77.81 -33.93 52.27 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.63 -1.168 . . . . 0.0 110.922 -176.181 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.631 ' HG3' ' HG ' ' B' ' 51' ' ' LEU . 12.3 tpp180 -56.42 -50.06 72.75 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.338 0.59 . . . . 0.0 109.432 171.519 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.759 ' HG ' HD11 ' B' ' 47' ' ' ILE . 3.3 tm? -62.28 -36.06 80.91 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.685 176.221 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.429 ' C ' ' HD3' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -58.38 -39.87 80.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.198 0.523 . . . . 0.0 110.033 175.643 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 26' ' ' THR . 96.0 t -71.14 -31.73 45.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.641 177.569 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.468 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 84.4 t80 -63.79 -38.57 91.59 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.547 173.503 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.478 ' SG ' ' HA ' ' A' ' 39' ' ' LEU . 76.8 m -73.34 -24.13 60.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.806 178.16 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.23 -36.77 39.47 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.28 0.562 . . . . 0.0 110.051 176.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -72.38 -44.28 62.76 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.431 -178.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.493 ' HB3' HD13 ' A' ' 37' ' ' LEU . 41.5 m-80 -94.46 1.68 55.76 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.792 0.329 . . . . 0.0 110.518 -179.602 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.3 m120 56.02 24.43 7.76 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.318 -174.394 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.493 HD13 ' HB3' ' A' ' 35' ' ' ASN . 1.8 mp -72.25 167.23 20.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.466 178.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -87.73 135.72 33.26 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.327 172.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.478 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 0.2 OUTLIER -45.53 -52.04 10.98 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 123.588 0.555 . . . . 0.0 110.864 177.612 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.732 HG23 HD12 ' B' ' 18' ' ' ILE . 3.9 m -59.41 -49.54 77.4 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.521 -179.227 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.458 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 32.9 tt0 -55.44 -38.05 68.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.66 -179.215 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.752 ' HB3' HD11 ' A' ' 28' ' ' LEU . . . -69.95 -44.37 69.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.17 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.5 mp -57.72 -46.13 86.8 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.161 0 CA-C-O 120.997 0.427 . . . . 0.0 110.318 175.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.465 ' HA ' HG22 ' A' ' 47' ' ' ILE . 48.0 mt-10 -62.93 -43.47 98.7 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.81 -178.293 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 41' ' ' GLN . 31.5 mm-40 -63.45 -39.02 93.35 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 175.035 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.812 ' HB1' ' HA ' ' B' ' 47' ' ' ILE . . . -62.69 -54.68 35.66 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.653 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.819 ' HA ' ' HB1' ' B' ' 46' ' ' ALA . 6.3 tt -70.57 -26.12 27.98 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.112 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.856 -176.087 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.664 ' HE3' HD23 ' B' ' 24' ' ' LEU . 1.4 tpmt? -68.95 -55.94 9.39 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.496 177.386 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -70.91 -9.78 58.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.717 -177.625 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.582 ' CD1' ' HA ' ' B' ' 46' ' ' ALA . 58.8 t80 -80.3 -46.49 16.07 Favored 'General case' 0 N--CA 1.438 -1.049 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.233 178.459 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.644 ' HG ' ' HG3' ' B' ' 27' ' ' ARG . 0.1 OUTLIER -61.22 -40.44 94.0 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.584 177.65 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 C--N 1.321 -0.655 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.084 -177.721 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.702 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.44 HG22 ' CD1' ' A' ' 19' ' ' TYR . 2.3 t -109.45 161.87 7.52 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 178.636 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' PHE . . . . . 0.545 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 2.7 t80 -150.6 124.28 9.13 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.028 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' GLY . . . . . 0.557 ' HA2' ' O ' ' A' ' 16' ' ' PHE . . . -130.0 95.81 0.36 Allowed Glycine 0 N--CA 1.45 -0.37 0 N-CA-C 111.649 -0.58 . . . . 0.0 111.649 -179.481 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.732 HD12 HG23 ' A' ' 40' ' ' THR . 36.0 pt -124.94 166.46 20.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.906 0.384 . . . . 0.0 111.971 -174.483 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' TYR . . . . . 0.42 ' CD1' HG22 ' A' ' 15' ' ' VAL . 62.0 m-85 -107.32 94.45 5.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.792 176.334 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 23.2 ptm -106.44 161.41 14.62 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.86 -178.512 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.97 156.14 18.35 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.256 0.55 . . . . 0.0 111.482 -178.042 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -77.17 -63.46 1.36 Allowed 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.499 -175.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -49.89 -39.74 40.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 123.924 0.765 . . . . 0.0 111.823 -175.282 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' LEU . . . . . 0.667 HD21 HG23 ' A' ' 47' ' ' ILE . 0.6 OUTLIER -69.62 -55.41 10.13 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.763 -179.821 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.441 ' N ' HD13 ' B' ' 24' ' ' LEU . 3.4 ttpm? -61.9 -32.69 73.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.832 0.825 . . . . 0.0 109.821 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' THR . . . . . 0.487 ' O ' HG23 ' B' ' 30' ' ' VAL . 19.0 m -78.06 -33.84 50.71 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.674 -1.148 . . . . 0.0 111.094 -176.359 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.644 ' HG3' ' HG ' ' A' ' 51' ' ' LEU . 12.3 tpp180 -56.29 -49.88 73.01 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 171.386 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.752 HD11 ' HB3' ' B' ' 42' ' ' ALA . 3.3 tm? -62.47 -36.13 81.5 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.615 176.369 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.435 ' C ' ' HD3' ' B' ' 29' ' ' LYS . 0.8 OUTLIER -58.24 -40.08 80.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.304 0.573 . . . . 0.0 110.02 175.693 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.487 HG23 ' O ' ' B' ' 26' ' ' THR . 95.0 t -71.06 -31.48 45.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.536 0.684 . . . . 0.0 110.769 177.549 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' TYR . . . . . 0.466 ' HB3' ' O ' ' B' ' 28' ' ' LEU . 84.6 t80 -64.13 -38.4 90.92 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.586 173.539 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 32' ' ' CYS . . . . . 0.49 ' SG ' ' HA ' ' B' ' 39' ' ' LEU . 77.0 m -73.17 -24.27 60.53 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.84 177.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.24 -36.8 39.39 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.536 0.684 . . . . 0.0 109.875 177.131 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -72.45 -44.13 62.8 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.495 -178.339 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ASN . . . . . 0.49 ' HB3' HD13 ' B' ' 37' ' ' LEU . 41.2 m-80 -94.54 1.44 55.67 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.5 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 8.1 m120 56.04 25.02 8.38 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.18 -174.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.49 HD13 ' HB3' ' B' ' 35' ' ' ASN . 1.7 mp -72.86 167.04 21.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.425 178.786 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -87.75 135.45 33.37 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.128 172.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.49 ' HA ' ' SG ' ' B' ' 32' ' ' CYS . 0.2 OUTLIER -45.09 -52.1 9.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 123.632 0.582 . . . . 0.0 111.13 177.214 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 40' ' ' THR . . . . . 0.724 HG23 HD12 ' A' ' 18' ' ' ILE . 4.1 m -59.33 -49.59 77.22 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.289 -179.139 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.466 ' O ' ' HG2' ' B' ' 45' ' ' GLU . 32.9 tt0 -55.72 -37.75 68.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.727 -178.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.752 ' HB3' HD11 ' B' ' 28' ' ' LEU . . . -70.12 -44.05 69.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.242 179.536 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 1.5 mp -57.84 -46.49 87.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.968 0.413 . . . . 0.0 110.277 175.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.46 ' HA ' HG22 ' B' ' 47' ' ' ILE . 47.8 mt-10 -62.46 -43.59 98.45 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.951 -178.506 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' B' ' 41' ' ' GLN . 30.3 mm-40 -63.4 -39.15 93.73 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 174.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.819 ' HB1' ' HA ' ' A' ' 47' ' ' ILE . . . -62.67 -54.76 34.47 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.665 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.812 ' HA ' ' HB1' ' A' ' 46' ' ' ALA . 6.3 tt -70.3 -26.0 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.099 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.889 -176.169 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.701 ' HE3' HD23 ' A' ' 24' ' ' LEU . 1.4 tpmt? -69.2 -55.72 9.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.962 0.41 . . . . 0.0 110.503 177.471 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -71.01 -9.92 58.86 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.61 -177.512 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' TYR . . . . . 0.572 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 59.2 t80 -80.11 -46.54 16.28 Favored 'General case' 0 N--CA 1.439 -1.014 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.326 178.452 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.631 ' HG ' ' HG3' ' A' ' 27' ' ' ARG . 0.1 OUTLIER -61.25 -40.4 93.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.511 177.661 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 . . . . . 0 C--N 1.32 -0.675 0 C-N-CA 120.516 -0.473 . . . . 0.0 111.182 -177.64 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.644 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.403 HG22 ' CD1' ' B' ' 19' ' ' TYR . 2.4 t -104.78 161.24 4.88 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.979 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.567 ' O ' ' HA2' ' B' ' 17' ' ' GLY . 3.3 t80 -150.98 122.01 7.67 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.63 -179.65 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.559 ' HA2' ' O ' ' B' ' 16' ' ' PHE . . . -130.36 94.53 0.33 Allowed Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 111.631 -0.587 . . . . 0.0 111.631 -178.139 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.709 HD12 HG23 ' B' ' 40' ' ' THR . 43.0 pt -124.26 172.5 11.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.956 0.408 . . . . 0.0 111.618 -173.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.422 ' CD1' HG22 ' B' ' 15' ' ' VAL . 68.4 m-85 -115.95 98.55 6.71 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.975 178.096 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.432 ' HB2' ' HG2' ' B' ' 44' ' ' GLU . 21.6 ptm -110.2 163.88 13.19 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.354 -175.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -62.94 155.49 27.16 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.075 0.464 . . . . 0.0 111.647 -178.022 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -75.15 -66.21 0.79 Allowed 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.52 -178.202 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -48.32 -31.77 6.49 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 123.648 0.592 . . . . 0.0 112.135 -175.09 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.666 HD21 HG23 ' B' ' 47' ' ' ILE . 0.6 OUTLIER -78.56 -55.37 5.25 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.767 -179.67 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -62.19 -33.38 74.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.81 0.814 . . . . 0.0 109.805 178.057 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.494 ' O ' HG23 ' A' ' 30' ' ' VAL . 54.6 m -77.4 -33.47 55.04 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.625 -1.17 . . . . 0.0 110.361 -176.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.727 ' HG3' ' HG ' ' B' ' 51' ' ' LEU . 17.8 tpp180 -54.08 -53.25 55.77 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.767 0.794 . . . . 0.0 109.38 171.206 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.719 ' HG ' HD11 ' B' ' 47' ' ' ILE . 3.2 tm? -61.7 -36.98 82.47 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.665 -1.152 . . . . 0.0 111.425 175.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.438 ' C ' ' HD3' ' A' ' 29' ' ' LYS . 13.1 tmtt? -55.64 -43.36 76.16 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.092 0.472 . . . . 0.0 110.268 176.168 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 26' ' ' THR . 91.2 t -67.0 -33.32 62.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.598 178.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.448 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 91.3 t80 -64.45 -38.73 92.04 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.763 175.443 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.434 ' SG ' ' HA ' ' A' ' 39' ' ' LEU . 77.3 m -75.1 -26.32 59.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.28 179.076 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.88 -37.3 40.54 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.284 0.564 . . . . 0.0 110.277 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -78.25 -38.4 42.97 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.632 -176.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.501 ' HB3' HD13 ' A' ' 37' ' ' LEU . 44.0 m-80 -94.63 0.4 55.11 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.863 0.363 . . . . 0.0 110.494 178.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.1 m120 58.2 23.27 10.08 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.765 -174.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.501 HD13 ' HB3' ' A' ' 35' ' ' ASN . 1.9 mp -73.11 165.7 24.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.195 179.222 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -89.13 133.08 34.53 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.311 175.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.495 HD12 ' CZ ' ' B' ' 16' ' ' PHE . 0.1 OUTLIER -47.65 -51.52 21.23 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 123.578 0.549 . . . . 0.0 110.798 177.733 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.726 HG23 HD12 ' B' ' 18' ' ' ILE . 14.5 m -61.65 -48.61 80.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.292 -179.186 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -54.28 -40.93 68.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.64 178.263 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.71 ' HB3' HD11 ' A' ' 28' ' ' LEU . . . -66.48 -44.66 82.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.954 -179.231 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.486 HG21 HD11 ' B' ' 18' ' ' ILE . 1.5 mp -58.74 -46.56 90.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.902 0.382 . . . . 0.0 110.602 175.785 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.455 ' HG2' ' HB2' ' B' ' 20' ' ' MET . 45.7 mt-10 -62.26 -44.27 96.92 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.771 -179.079 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -64.41 -38.38 90.84 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.112 0.482 . . . . 0.0 109.807 175.04 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.784 ' HB1' ' HA ' ' B' ' 47' ' ' ILE . . . -61.86 -54.42 42.26 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.801 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.799 ' HA ' ' HB1' ' B' ' 46' ' ' ALA . 8.2 tt -70.77 -24.51 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.199 0 CA-C-N 115.054 -0.975 . . . . 0.0 110.608 -176.717 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.687 ' HE3' HD23 ' B' ' 24' ' ' LEU . 2.3 tpmt? -68.28 -59.89 2.86 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.572 176.618 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -63.69 -17.11 62.63 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.045 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.631 ' CD1' ' HA ' ' B' ' 46' ' ' ALA . 56.8 t80 -74.18 -46.92 39.09 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.321 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.721 ' HG ' ' HG3' ' B' ' 27' ' ' ARG . 0.2 OUTLIER -62.83 -39.09 93.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.716 176.292 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 . . . . . 0 C--N 1.323 -0.585 0 CA-C-O 120.755 0.312 . . . . 0.0 111.447 -177.781 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.683 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.422 HG22 ' CD1' ' A' ' 19' ' ' TYR . 2.4 t -104.11 161.59 4.52 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' PHE . . . . . 0.559 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 3.3 t80 -151.26 122.28 7.66 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' GLY . . . . . 0.567 ' HA2' ' O ' ' A' ' 16' ' ' PHE . . . -130.62 95.04 0.32 Allowed Glycine 0 N--CA 1.451 -0.358 0 N-CA-C 111.534 -0.626 . . . . 0.0 111.534 -178.561 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.726 HD12 HG23 ' A' ' 40' ' ' THR . 43.1 pt -124.34 172.87 11.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.81 0.338 . . . . 0.0 111.666 -174.038 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' TYR . . . . . 0.403 ' CD1' HG22 ' A' ' 15' ' ' VAL . 68.2 m-85 -116.37 98.04 6.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.079 178.279 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' MET . . . . . 0.455 ' HB2' ' HG2' ' A' ' 44' ' ' GLU . 21.5 ptm -109.63 164.08 12.87 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.38 -175.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -62.85 155.54 26.71 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.015 0.436 . . . . 0.0 111.721 -178.326 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -75.33 -66.51 0.76 Allowed 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.416 -178.154 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -48.19 -31.24 5.49 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 123.649 0.593 . . . . 0.0 112.241 -175.257 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' LEU . . . . . 0.687 HD23 ' HE3' ' A' ' 48' ' ' LYS . 0.6 OUTLIER -79.13 -55.54 5.03 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.732 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -61.8 -33.83 74.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.74 0.781 . . . . 0.0 109.69 178.02 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' THR . . . . . 0.489 ' O ' HG23 ' B' ' 30' ' ' VAL . 53.6 m -76.92 -33.37 57.74 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.632 -1.167 . . . . 0.0 110.419 -176.763 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.721 ' HG3' ' HG ' ' A' ' 51' ' ' LEU . 17.4 tpp180 -54.31 -53.17 57.42 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.731 0.777 . . . . 0.0 109.214 171.562 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.715 ' HG ' HD11 ' A' ' 47' ' ' ILE . 3.2 tm? -61.72 -36.97 82.49 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.631 -1.168 . . . . 0.0 111.395 175.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.451 ' C ' ' HD3' ' B' ' 29' ' ' LYS . 13.1 tmtt? -55.67 -43.28 76.18 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.141 0.496 . . . . 0.0 110.288 176.063 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.489 HG23 ' O ' ' B' ' 26' ' ' THR . 89.5 t -66.94 -33.27 62.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.75 178.786 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' TYR . . . . . 0.455 ' HB3' ' O ' ' B' ' 28' ' ' LEU . 91.2 t80 -64.52 -38.98 92.88 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.629 175.518 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 32' ' ' CYS . . . . . 0.436 ' SG ' ' HA ' ' B' ' 39' ' ' LEU . 77.6 m -75.18 -26.05 58.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.315 179.205 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.07 -37.52 38.67 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.383 0.611 . . . . 0.0 110.194 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -77.82 -38.46 46.28 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.597 -176.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ASN . . . . . 0.484 ' HB3' HD13 ' B' ' 37' ' ' LEU . 44.2 m-80 -94.62 0.42 55.12 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.43 178.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 16.5 m120 58.23 23.13 9.97 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.893 -174.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.484 HD13 ' HB3' ' B' ' 35' ' ' ASN . 1.9 mp -72.98 165.64 24.6 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.258 179.181 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -89.32 132.66 34.83 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.337 176.125 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.496 HD12 ' CZ ' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -47.34 -51.51 19.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 123.598 0.561 . . . . 0.0 110.743 177.895 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 40' ' ' THR . . . . . 0.709 HG23 HD12 ' A' ' 18' ' ' ILE . 11.6 m -61.59 -48.82 79.19 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.286 -179.08 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -54.25 -40.76 68.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.461 178.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.705 ' HB3' HD11 ' B' ' 28' ' ' LEU . . . -66.58 -44.69 81.55 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.985 -179.319 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.489 HG21 HD11 ' A' ' 18' ' ' ILE . 1.5 mp -58.8 -46.61 90.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.83 0.348 . . . . 0.0 110.459 175.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.432 ' HG2' ' HB2' ' A' ' 20' ' ' MET . 45.2 mt-10 -62.23 -43.81 97.98 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.896 -179.034 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -64.73 -38.45 91.03 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.16 0.505 . . . . 0.0 109.794 174.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.799 ' HB1' ' HA ' ' A' ' 47' ' ' ILE . . . -61.81 -54.43 42.36 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.857 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.784 ' HA ' ' HB1' ' A' ' 46' ' ' ALA . 8.2 tt -70.75 -24.27 24.82 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.216 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.626 -176.748 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.659 ' HE3' HD23 ' A' ' 24' ' ' LEU . 2.3 tpmt? -68.54 -59.74 2.92 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.524 176.719 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.91 -16.89 62.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.948 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 50' ' ' TYR . . . . . 0.62 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 56.5 t80 -74.39 -46.82 37.86 Favored 'General case' 0 N--CA 1.438 -1.04 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.305 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.727 ' HG ' ' HG3' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -62.77 -39.17 93.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.706 176.365 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 . . . . . 0 C--N 1.324 -0.541 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.616 -177.674 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.442 ' O ' ' HA ' ' B' ' 19' ' ' TYR . . . . . . . . 0 N--CA 1.446 -0.651 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.434 HG22 ' CD1' ' B' ' 19' ' ' TYR . 2.1 t -110.81 158.87 11.1 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.575 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.534 ' O ' ' HA2' ' B' ' 17' ' ' GLY . 3.3 t80 -151.38 118.48 5.9 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 -178.211 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.553 ' HA2' ' O ' ' B' ' 16' ' ' PHE . . . -125.54 96.56 0.5 Allowed Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 111.463 -0.655 . . . . 0.0 111.463 -178.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.744 HD12 HG23 ' B' ' 40' ' ' THR . 35.9 pt -123.72 166.78 18.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.967 0.413 . . . . 0.0 111.875 -174.328 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.441 ' HA ' ' O ' ' B' ' 14' ' ' ALA . 66.6 m-85 -106.61 95.67 5.91 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.072 175.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.536 ' HB2' ' HG2' ' B' ' 44' ' ' GLU . 23.8 ptm -107.54 159.91 16.07 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.001 -178.549 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.73 155.62 9.83 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.204 0.526 . . . . 0.0 111.207 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -79.93 -61.27 2.04 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.886 -177.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -46.84 -37.73 9.18 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.112 0.882 . . . . 0.0 112.0 -176.272 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.699 HD11 ' CG2' ' B' ' 47' ' ' ILE . 0.5 OUTLIER -76.82 -53.18 8.25 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.852 -178.503 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.438 ' HD2' ' CD1' ' B' ' 16' ' ' PHE . 3.5 ttpm? -60.29 -33.19 72.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.669 0.747 . . . . 0.0 109.586 177.358 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.518 ' O ' HG23 ' A' ' 30' ' ' VAL . 32.3 m -75.5 -34.68 60.86 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.634 -1.167 . . . . 0.0 110.705 -178.704 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.629 ' HG3' ' HG ' ' B' ' 51' ' ' LEU . 15.6 tpp180 -56.65 -50.59 71.61 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.425 0.631 . . . . 0.0 109.765 172.225 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.751 HD11 ' HB3' ' A' ' 42' ' ' ALA . 3.2 tm? -62.46 -34.65 77.24 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.87 175.644 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.459 ' C ' ' HD3' ' A' ' 29' ' ' LYS . 1.1 tmtp? -57.77 -40.48 79.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.188 0.518 . . . . 0.0 109.96 175.572 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 26' ' ' THR . 96.6 t -67.31 -33.44 62.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.611 0.72 . . . . 0.0 110.731 177.768 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.444 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 78.3 t80 -65.52 -39.05 91.35 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.846 175.762 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.514 ' SG ' ' HA ' ' A' ' 39' ' ' LEU . 76.9 m -74.4 -22.9 58.94 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.916 179.446 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.32 -37.94 27.55 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.339 0.59 . . . . 0.0 110.176 176.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.4 ttmp? -71.01 -43.45 67.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.25 -178.257 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.636 ' HB3' HD13 ' A' ' 37' ' ' LEU . 34.6 m-80 -94.74 0.65 55.15 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.315 -179.111 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 55.88 25.05 8.13 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.335 -173.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.636 HD13 ' HB3' ' A' ' 35' ' ' ASN . 2.3 mp -74.62 166.34 23.73 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.301 0.572 . . . . 0.0 111.515 179.528 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -84.57 134.63 34.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.611 174.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.514 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 0.1 OUTLIER -48.37 -50.28 31.24 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 123.605 0.566 . . . . 0.0 110.809 177.94 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.76 HG23 HD12 ' B' ' 18' ' ' ILE . 11.4 m -63.16 -48.66 77.47 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.342 -178.553 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.403 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 29.8 tt0 -53.56 -40.71 65.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.198 179.037 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.751 ' HB3' HD11 ' A' ' 28' ' ' LEU . . . -66.27 -45.88 78.97 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.125 -179.388 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.5 ' O ' HG22 ' A' ' 47' ' ' ILE . 1.5 mp -57.03 -47.03 84.26 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.204 0 CA-C-O 120.796 0.331 . . . . 0.0 110.557 176.457 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.522 ' HG2' ' HB2' ' B' ' 20' ' ' MET . 43.6 mt-10 -62.1 -44.87 95.72 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.097 -177.21 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 41' ' ' GLN . 7.1 mm-40 -68.33 -30.93 70.01 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 176.603 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.796 ' HB1' ' HA ' ' B' ' 47' ' ' ILE . . . -65.19 -56.87 10.39 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.523 177.425 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.806 ' HA ' ' HB1' ' B' ' 46' ' ' ALA . 17.2 tt -65.31 -29.68 47.95 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.148 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.956 -177.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.494 ' HE3' HD23 ' B' ' 24' ' ' LEU . 4.4 tppp? -66.51 -57.61 6.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.056 177.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -69.12 -11.0 60.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.763 -178.161 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.657 ' CD1' ' HA ' ' B' ' 46' ' ' ALA . 67.0 t80 -76.74 -46.26 26.01 Favored 'General case' 0 N--CA 1.439 -0.981 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.277 176.779 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.616 ' HG ' ' HG3' ' B' ' 27' ' ' ARG . 0.2 OUTLIER -61.77 -38.38 87.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.251 176.704 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.318 -0.772 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.797 -178.138 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.441 ' O ' ' HA ' ' A' ' 19' ' ' TYR . . . . . . . . 0 N--CA 1.446 -0.652 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.439 HG22 ' CD1' ' A' ' 19' ' ' TYR . 2.0 t -110.63 159.04 10.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 178.435 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' PHE . . . . . 0.553 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 3.5 t80 -151.35 118.47 5.91 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -178.38 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' GLY . . . . . 0.534 ' HA2' ' O ' ' A' ' 16' ' ' PHE . . . -125.19 96.77 0.51 Allowed Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 111.517 -0.633 . . . . 0.0 111.517 -179.168 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.76 HD12 HG23 ' A' ' 40' ' ' THR . 37.1 pt -123.85 166.22 19.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.99 0.424 . . . . 0.0 111.944 -174.422 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' TYR . . . . . 0.442 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 66.2 m-85 -106.35 95.46 5.78 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.949 175.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 20' ' ' MET . . . . . 0.522 ' HB2' ' HG2' ' A' ' 44' ' ' GLU . 24.0 ptm -107.4 160.12 15.88 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.918 -178.499 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.13 155.72 10.74 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 121.214 0.53 . . . . 0.0 111.24 -179.683 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -79.92 -61.53 1.96 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.876 -177.356 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -46.58 -37.56 8.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.105 0.878 . . . . 0.0 112.03 -176.233 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' LEU . . . . . 0.673 HD11 ' CG2' ' A' ' 47' ' ' ILE . 0.5 OUTLIER -76.84 -53.57 7.73 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.87 -178.643 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.436 ' HD2' ' CD1' ' A' ' 16' ' ' PHE . 3.5 ttpm? -59.99 -33.26 71.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.861 0.838 . . . . 0.0 109.698 177.386 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 26' ' ' THR . . . . . 0.497 ' O ' HG23 ' B' ' 30' ' ' VAL . 41.9 m -75.28 -34.73 61.36 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.435 -1.257 . . . . 0.0 110.829 -178.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.616 ' HG3' ' HG ' ' A' ' 51' ' ' LEU . 15.5 tpp180 -56.8 -50.42 72.4 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.396 0.617 . . . . 0.0 109.783 172.393 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.748 HD11 ' HB3' ' B' ' 42' ' ' ALA . 3.2 tm? -62.37 -34.78 77.36 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.947 175.425 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.455 ' C ' ' HD3' ' B' ' 29' ' ' LYS . 1.1 tmtp? -57.83 -40.59 80.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.175 0.512 . . . . 0.0 109.916 175.692 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.497 HG23 ' O ' ' B' ' 26' ' ' THR . 95.8 t -67.04 -33.77 65.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.724 0.773 . . . . 0.0 110.761 177.637 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' TYR . . . . . 0.448 ' HB3' ' O ' ' B' ' 28' ' ' LEU . 78.2 t80 -65.44 -38.96 91.4 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.862 175.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' CYS . . . . . 0.522 ' SG ' ' HA ' ' B' ' 39' ' ' LEU . 76.9 m -74.43 -22.99 58.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.954 179.221 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.1 -38.66 26.91 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.27 0.557 . . . . 0.0 110.118 176.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 4.4 ttmp? -70.22 -43.45 70.61 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.302 -178.236 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ASN . . . . . 0.639 ' HB3' HD13 ' B' ' 37' ' ' LEU . 33.8 m-80 -94.8 0.69 55.1 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.287 -178.744 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 55.9 25.28 8.42 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.185 -173.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.639 HD13 ' HB3' ' B' ' 35' ' ' ASN . 2.4 mp -74.8 166.07 24.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.52 179.431 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -84.16 134.71 34.56 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.611 174.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.522 ' HA ' ' SG ' ' B' ' 32' ' ' CYS . 0.1 OUTLIER -48.54 -50.63 31.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 123.559 0.537 . . . . 0.0 110.743 177.814 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 40' ' ' THR . . . . . 0.744 HG23 HD12 ' A' ' 18' ' ' ILE . 12.9 m -62.66 -48.73 78.06 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.412 -178.611 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.411 ' O ' ' HG2' ' B' ' 45' ' ' GLU . 30.3 tt0 -53.41 -40.77 65.35 Favored 'General case' 0 N--CA 1.456 -0.13 0 O-C-N 123.444 0.465 . . . . 0.0 110.437 178.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.748 ' HB3' HD11 ' B' ' 28' ' ' LEU . . . -66.03 -46.11 79.07 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.084 -179.599 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.514 ' O ' HG22 ' B' ' 47' ' ' ILE . 1.5 mp -56.99 -47.07 84.05 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.182 0 O-C-N 123.114 0.259 . . . . 0.0 110.555 176.645 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.536 ' HG2' ' HB2' ' A' ' 20' ' ' MET . 43.3 mt-10 -62.01 -44.83 95.88 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.239 -177.482 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' B' ' 41' ' ' GLN . 7.1 mm-40 -68.4 -30.92 69.95 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 176.39 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.806 ' HB1' ' HA ' ' A' ' 47' ' ' ILE . . . -65.1 -56.88 10.43 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 121.432 0.634 . . . . 0.0 110.553 177.23 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.796 ' HA ' ' HB1' ' A' ' 46' ' ' ALA . 17.4 tt -65.31 -29.53 47.5 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.139 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.186 -178.084 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.503 ' HE3' HD23 ' A' ' 24' ' ' LEU . 4.4 tppp? -66.71 -57.47 7.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.034 177.8 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -69.35 -10.84 59.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.665 -178.094 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' TYR . . . . . 0.655 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 66.9 t80 -76.7 -46.31 26.06 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.284 176.654 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.629 ' HG ' ' HG3' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -61.78 -38.49 88.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.14 176.871 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.317 -0.82 0 CA-C-O 121.173 0.511 . . . . 0.0 110.738 -178.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.594 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.473 HG22 ' CD1' ' B' ' 19' ' ' TYR . 2.1 t -108.36 160.89 7.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 179.15 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.536 ' O ' ' HA2' ' B' ' 17' ' ' GLY . 1.4 t80 -149.39 124.47 10.06 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -179.115 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.522 ' HA2' ' O ' ' B' ' 16' ' ' PHE . . . -128.67 93.52 0.35 Allowed Glycine 0 N--CA 1.449 -0.49 0 N-CA-C 111.329 -0.708 . . . . 0.0 111.329 179.47 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.79 HD12 HG23 ' B' ' 40' ' ' THR . 43.6 pt -123.75 165.83 19.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.969 0.414 . . . . 0.0 111.74 -174.21 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.465 ' CD1' HG22 ' B' ' 15' ' ' VAL . 74.2 m-85 -108.89 93.29 4.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.888 175.131 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.503 ' HB2' ' HG2' ' B' ' 44' ' ' GLU . 24.3 ptm -105.27 157.49 17.27 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.813 -177.811 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.98 150.09 14.16 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 121.479 0.657 . . . . 0.0 111.185 -179.233 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.407 ' HB2' ' NZ ' ' A' ' 22' ' ' LYS . 3.6 ttmp? -78.88 -59.67 2.69 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.992 -174.318 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -48.89 -36.12 16.39 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 123.93 0.769 . . . . 0.0 111.911 -177.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.686 HD11 HG23 ' B' ' 47' ' ' ILE . 0.2 OUTLIER -72.93 -57.88 3.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.449 178.634 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.464 ' HD2' ' CD1' ' B' ' 16' ' ' PHE . 3.0 ttpm? -58.31 -33.94 70.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.661 0.743 . . . . 0.0 109.959 178.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.537 ' O ' HG23 ' A' ' 30' ' ' VAL . 45.9 m -77.38 -30.83 53.89 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.722 -177.426 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.6 ' HG3' ' HG ' ' B' ' 51' ' ' LEU . 18.4 tpp180 -58.72 -54.01 51.91 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.595 0.712 . . . . 0.0 109.307 172.001 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.75 HD11 ' HB3' ' A' ' 42' ' ' ALA . 3.1 tm? -58.3 -36.34 73.2 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 114.842 -1.072 . . . . 0.0 111.378 174.019 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.445 ' C ' ' HD3' ' A' ' 29' ' ' LYS . 1.3 tmtp? -56.8 -42.68 79.93 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.092 0.472 . . . . 0.0 110.018 176.306 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 26' ' ' THR . 74.5 t -66.4 -33.54 64.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.389 0.614 . . . . 0.0 110.517 177.349 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.459 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 88.4 t80 -64.58 -37.55 87.93 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.333 -0.848 . . . . 0.0 109.59 175.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.497 ' SG ' ' HA ' ' A' ' 39' ' ' LEU . 81.3 m -74.88 -24.74 58.6 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.035 177.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.23 -33.57 32.76 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.171 0.51 . . . . 0.0 110.299 178.409 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -75.24 -43.58 50.85 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.42 -179.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.619 ' HB3' HD13 ' A' ' 37' ' ' LEU . 43.1 m-80 -94.34 1.61 55.87 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.358 -179.531 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 56.0 23.83 7.12 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.122 -174.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.619 HD13 ' HB3' ' A' ' 35' ' ' ASN . 2.5 mp -72.75 164.28 26.79 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.028 178.664 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.485 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . 54.2 mt-30 -85.03 134.65 34.21 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.268 175.189 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.497 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 0.2 OUTLIER -46.23 -52.78 11.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 123.493 0.495 . . . . 0.0 110.938 177.811 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.817 HG23 HD12 ' B' ' 18' ' ' ILE . 6.4 m -58.8 -49.1 78.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.476 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.485 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 29.2 tt0 -54.21 -39.43 66.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.699 -179.397 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.75 ' HB3' HD11 ' A' ' 28' ' ' LEU . . . -70.86 -42.75 69.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.991 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.5 mp -57.88 -45.83 87.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.965 0.412 . . . . 0.0 110.388 175.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.472 ' HG2' ' HB2' ' B' ' 20' ' ' MET . 46.0 mt-10 -63.29 -44.71 94.28 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.944 -178.415 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -65.35 -35.19 80.21 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 175.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.79 ' HB1' ' HA ' ' B' ' 47' ' ' ILE . . . -63.67 -55.14 25.73 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.608 178.705 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.819 ' HA ' ' HB1' ' B' ' 46' ' ' ALA . 7.0 tt -70.3 -25.11 26.61 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.18 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.985 -176.027 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.468 ' HE3' HD12 ' B' ' 24' ' ' LEU . 0.6 OUTLIER -71.83 -55.03 8.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.941 178.285 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -69.24 -11.7 61.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.553 -179.281 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.604 ' CD1' ' HA ' ' B' ' 46' ' ' ALA . 62.6 t80 -77.32 -47.61 19.54 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.785 176.041 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.609 ' HG ' ' HG3' ' B' ' 27' ' ' ARG . 0.2 OUTLIER -59.68 -39.16 83.59 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.041 175.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 . . . . . 0 C--N 1.325 -0.497 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.246 -179.773 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.557 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.465 HG22 ' CD1' ' A' ' 19' ' ' TYR . 2.1 t -108.07 160.4 7.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.113 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' PHE . . . . . 0.522 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 1.4 t80 -148.97 124.11 10.12 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 -179.103 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' GLY . . . . . 0.536 ' HA2' ' O ' ' A' ' 16' ' ' PHE . . . -128.46 93.82 0.36 Allowed Glycine 0 N--CA 1.449 -0.443 0 N-CA-C 111.522 -0.631 . . . . 0.0 111.522 179.297 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.817 HD12 HG23 ' A' ' 40' ' ' THR . 43.7 pt -123.92 165.82 19.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.892 0.377 . . . . 0.0 111.824 -174.265 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' TYR . . . . . 0.473 ' CD1' HG22 ' A' ' 15' ' ' VAL . 74.0 m-85 -109.07 93.22 4.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.875 175.197 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' MET . . . . . 0.472 ' HB2' ' HG2' ' A' ' 44' ' ' GLU . 24.5 ptm -105.1 157.51 17.2 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.848 -177.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.04 150.11 14.3 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.382 0.611 . . . . 0.0 111.29 -179.338 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -79.0 -59.64 2.7 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.018 -174.36 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -48.56 -36.26 15.1 Favored 'General case' 0 C--N 1.322 -0.605 0 O-C-N 123.946 0.779 . . . . 0.0 111.85 -177.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' LEU . . . . . 0.663 HD11 HG23 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -73.06 -57.86 3.73 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.537 178.771 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.467 ' HD2' ' CD1' ' A' ' 16' ' ' PHE . 3.0 ttpm? -58.43 -33.74 70.04 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.641 0.734 . . . . 0.0 110.008 178.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' THR . . . . . 0.53 ' O ' HG23 ' B' ' 30' ' ' VAL . 44.7 m -77.26 -30.98 54.65 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.867 -1.061 . . . . 0.0 110.658 -177.547 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.609 ' HG3' ' HG ' ' A' ' 51' ' ' LEU . 18.4 tpp180 -58.79 -54.04 51.55 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.508 0.671 . . . . 0.0 109.241 172.241 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.728 HD11 ' HB3' ' B' ' 42' ' ' ALA . 3.1 tm? -58.28 -36.41 73.24 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.419 174.036 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.453 ' C ' ' HD3' ' B' ' 29' ' ' LYS . 1.3 tmtp? -56.7 -42.61 79.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.036 0.446 . . . . 0.0 110.128 176.261 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.53 HG23 ' O ' ' B' ' 26' ' ' THR . 76.9 t -66.41 -33.52 64.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.496 0.665 . . . . 0.0 110.519 177.241 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' TYR . . . . . 0.464 ' HB3' ' O ' ' B' ' 28' ' ' LEU . 88.1 t80 -64.57 -37.71 88.51 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.631 175.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' CYS . . . . . 0.512 ' SG ' ' HA ' ' B' ' 39' ' ' LEU . 82.4 m -75.05 -24.28 58.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.022 178.178 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.27 -33.9 32.4 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.231 0.539 . . . . 0.0 110.279 178.217 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -75.02 -43.54 53.08 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.355 -0.838 . . . . 0.0 111.461 -179.291 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ASN . . . . . 0.62 ' HB3' HD13 ' B' ' 37' ' ' LEU . 46.7 m-80 -94.23 1.4 56.01 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.89 0.376 . . . . 0.0 110.26 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 55.75 24.94 7.75 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.955 -174.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.62 HD13 ' HB3' ' B' ' 35' ' ' ASN . 2.5 mp -73.66 164.35 26.77 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.051 178.382 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.502 ' HB2' ' HB2' ' B' ' 41' ' ' GLN . 53.8 mt-30 -84.87 134.85 34.27 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.32 175.147 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.512 ' HA ' ' SG ' ' B' ' 32' ' ' CYS . 0.2 OUTLIER -46.64 -52.58 13.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 123.471 0.482 . . . . 0.0 110.839 178.073 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 40' ' ' THR . . . . . 0.79 HG23 HD12 ' A' ' 18' ' ' ILE . 6.1 m -58.83 -48.81 80.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.533 -179.691 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.502 ' HB2' ' HB2' ' B' ' 38' ' ' GLN . 29.7 tt0 -54.43 -39.47 67.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.564 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.728 ' HB3' HD11 ' B' ' 28' ' ' LEU . . . -70.93 -42.67 69.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.887 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 1.5 mp -58.18 -45.55 88.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 121.136 0.493 . . . . 0.0 110.451 175.224 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.503 ' HG2' ' HB2' ' A' ' 20' ' ' MET . 45.2 mt-10 -63.61 -44.46 93.9 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.921 -178.335 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -65.53 -35.15 80.0 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.928 0.395 . . . . 0.0 109.969 175.17 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.819 ' HB1' ' HA ' ' A' ' 47' ' ' ILE . . . -63.57 -54.95 27.97 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.815 178.475 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.79 ' HA ' ' HB1' ' A' ' 46' ' ' ALA . 6.9 tt -70.43 -25.41 26.93 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.047 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.912 -176.12 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.476 ' HE3' HD12 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -71.72 -54.8 9.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.052 0.453 . . . . 0.0 110.011 178.216 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -69.35 -11.65 60.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.556 -179.22 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' TYR . . . . . 0.597 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 63.2 t80 -77.46 -47.88 18.55 Favored 'General case' 0 N--CA 1.438 -1.066 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.833 175.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.6 ' HG ' ' HG3' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -59.28 -39.46 82.99 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.067 175.874 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 C--N 1.325 -0.483 0 CA-C-O 120.813 0.339 . . . . 0.0 111.256 -179.817 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.436 ' O ' ' HA ' ' B' ' 19' ' ' TYR . . . . . . . . 0 N--CA 1.448 -0.54 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.405 HG22 ' CD1' ' B' ' 19' ' ' TYR . 2.1 t -114.43 159.97 14.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.181 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.522 ' O ' ' HA2' ' B' ' 17' ' ' GLY . 2.3 t80 -149.34 121.6 8.39 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -177.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.519 ' HA2' ' O ' ' B' ' 16' ' ' PHE . . . -126.9 93.54 0.4 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 121.024 -0.608 . . . . 0.0 111.631 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.723 HD12 HG23 ' B' ' 40' ' ' THR . 33.3 pt -122.73 167.26 16.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 120.785 0.326 . . . . 0.0 111.722 -174.258 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.429 ' HA ' ' O ' ' B' ' 14' ' ' ALA . 66.7 m-85 -107.81 93.55 4.6 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.155 176.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.463 ' HB2' ' HG2' ' B' ' 44' ' ' GLU . 26.1 ptm -106.34 158.68 16.7 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.006 -178.162 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -58.2 152.79 16.35 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.308 0.575 . . . . 0.0 111.152 -179.209 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -78.47 -61.55 1.97 Allowed 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.847 -177.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -47.58 -35.51 9.23 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.092 0.87 . . . . 0.0 112.415 -176.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.698 HD11 ' CG2' ' B' ' 47' ' ' ILE . 0.6 OUTLIER -78.03 -52.55 8.61 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.497 -179.363 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.461 ' N ' HD13 ' A' ' 24' ' ' LEU . 3.3 ttpm? -61.42 -33.57 73.92 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.787 0.803 . . . . 0.0 109.967 177.665 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.435 ' O ' HG23 ' A' ' 30' ' ' VAL . 22.0 m -74.48 -33.96 62.99 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.539 -1.209 . . . . 0.0 110.903 -177.301 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.44 ' HG3' ' HG ' ' B' ' 51' ' ' LEU . 13.8 tpp180 -56.33 -52.25 65.24 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.375 0.607 . . . . 0.0 109.777 171.764 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.658 HD11 ' HB3' ' A' ' 42' ' ' ALA . 3.3 tm? -61.19 -37.21 82.15 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.963 176.372 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.454 ' C ' ' HD3' ' A' ' 29' ' ' LYS . 1.3 tmtp? -54.86 -39.49 68.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.073 0.464 . . . . 0.0 110.343 176.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 26' ' ' THR . 78.4 t -69.11 -34.48 63.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.412 0.625 . . . . 0.0 110.784 177.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.506 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 86.1 t80 -62.37 -39.16 92.27 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.678 175.466 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.538 ' SG ' ' HA ' ' A' ' 39' ' ' LEU . 80.7 m -72.47 -25.6 61.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.405 178.653 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.11 -38.11 32.28 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 121.212 0.53 . . . . 0.0 110.187 178.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -77.01 -36.41 56.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.859 -176.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.506 ' HB3' HD13 ' A' ' 37' ' ' LEU . 34.1 m-80 -95.01 -1.05 53.17 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.003 0.43 . . . . 0.0 110.162 178.451 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.2 m120 57.61 25.6 11.85 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.829 -174.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.506 HD13 ' HB3' ' A' ' 35' ' ' ASN . 1.9 mp -76.1 165.47 24.87 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.186 178.625 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -88.31 135.56 33.4 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.448 174.19 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.538 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 0.1 OUTLIER -46.73 -50.86 17.37 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 123.484 0.49 . . . . 0.0 110.732 178.333 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.739 HG23 HD12 ' B' ' 18' ' ' ILE . 5.0 m -60.63 -49.37 77.78 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.503 -179.334 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -55.62 -38.09 69.04 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.939 0.4 . . . . 0.0 110.515 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.658 ' HB3' HD11 ' A' ' 28' ' ' LEU . . . -67.61 -45.55 75.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.172 179.249 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.462 ' O ' HG22 ' A' ' 47' ' ' ILE . 1.5 mp -57.53 -46.43 86.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.828 0.347 . . . . 0.0 110.473 175.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.454 ' HG2' ' HB2' ' B' ' 20' ' ' MET . 46.8 mt-10 -62.38 -43.52 98.62 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.027 -178.632 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -63.05 -38.9 93.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.059 0.457 . . . . 0.0 109.979 173.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.744 ' HB1' ' HA ' ' B' ' 47' ' ' ILE . . . -62.23 -54.97 33.14 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.761 -179.304 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.75 ' HA ' ' HB1' ' B' ' 46' ' ' ALA . 19.9 tt -69.8 -23.83 26.15 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.148 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.292 -177.192 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.582 ' HA ' ' HE3' ' A' ' 48' ' ' LYS . 0.6 OUTLIER -71.98 -60.61 2.14 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 177.186 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.42 -21.46 25.33 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.644 175.683 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.651 ' CD1' ' HA ' ' B' ' 46' ' ' ALA . 60.4 t80 -70.51 -51.93 25.37 Favored 'General case' 0 N--CA 1.439 -1.024 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.618 -177.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.464 ' HG ' ' HG3' ' B' ' 27' ' ' ARG . 0.2 OUTLIER -58.42 -37.14 74.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.146 178.569 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.323 -0.583 0 C-N-CA 120.473 -0.491 . . . . 0.0 111.417 -178.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.429 ' O ' ' HA ' ' A' ' 19' ' ' TYR . . . . . . . . 0 N--CA 1.45 -0.472 0 N-CA-C 108.687 -0.856 . . . . 0.0 108.687 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.404 HG22 ' CD1' ' A' ' 19' ' ' TYR . 2.1 t -114.7 159.54 14.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.24 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' PHE . . . . . 0.519 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 2.3 t80 -148.94 121.71 8.68 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -177.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 17' ' ' GLY . . . . . 0.522 ' HA2' ' O ' ' A' ' 16' ' ' PHE . . . -127.13 93.14 0.39 Allowed Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.926 -0.654 . . . . 0.0 111.666 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.739 HD12 HG23 ' A' ' 40' ' ' THR . 33.0 pt -122.33 167.29 16.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.855 0.36 . . . . 0.0 111.685 -173.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 66.8 m-85 -107.91 93.49 4.56 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.057 177.182 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 20' ' ' MET . . . . . 0.454 ' HB2' ' HG2' ' A' ' 44' ' ' GLU . 26.1 ptm -106.37 158.91 16.54 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.027 -178.09 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -58.46 152.58 17.65 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.114 0.483 . . . . 0.0 111.082 -179.11 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -78.4 -61.73 1.91 Allowed 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 115.707 -0.678 . . . . 0.0 109.885 -177.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -47.2 -35.73 7.88 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 124.036 0.835 . . . . 0.0 112.412 -176.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' LEU . . . . . 0.682 HD11 ' CG2' ' A' ' 47' ' ' ILE . 0.6 OUTLIER -77.84 -52.66 8.52 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.435 -179.245 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.466 ' N ' HD13 ' B' ' 24' ' ' LEU . 3.3 ttpm? -61.35 -33.5 73.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.618 0.723 . . . . 0.0 109.955 177.584 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' THR . . . . . 0.446 ' O ' HG23 ' B' ' 30' ' ' VAL . 22.5 m -74.82 -33.46 62.2 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.76 -1.109 . . . . 0.0 110.818 -177.267 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.464 ' HG3' ' HG ' ' A' ' 51' ' ' LEU . 13.7 tpp180 -56.87 -51.91 67.2 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.346 0.593 . . . . 0.0 109.606 171.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.65 HD11 ' HB3' ' B' ' 42' ' ' ALA . 3.3 tm? -61.44 -37.02 82.02 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.153 -0.931 . . . . 0.0 111.052 176.329 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.457 ' C ' ' HD3' ' B' ' 29' ' ' LYS . 1.3 tmtp? -55.09 -39.21 69.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.074 0.464 . . . . 0.0 110.504 177.046 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.446 HG23 ' O ' ' B' ' 26' ' ' THR . 80.4 t -69.33 -34.6 63.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.534 0.683 . . . . 0.0 110.75 177.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' TYR . . . . . 0.503 ' HB3' ' O ' ' B' ' 28' ' ' LEU . 85.6 t80 -62.09 -39.44 92.47 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.691 175.4 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' CYS . . . . . 0.535 ' SG ' ' HA ' ' B' ' 39' ' ' LEU . 82.3 m -72.21 -25.87 61.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.233 178.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.81 -38.13 33.64 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 121.424 0.63 . . . . 0.0 110.285 178.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -77.03 -36.76 55.94 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.778 -177.035 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ASN . . . . . 0.501 ' HB3' HD13 ' B' ' 37' ' ' LEU . 35.4 m-80 -94.86 -0.56 53.94 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.358 178.438 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 18.5 m120 57.39 25.17 10.99 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.821 -174.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.501 HD13 ' HB3' ' B' ' 35' ' ' ASN . 2.0 mp -75.84 165.31 25.19 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.213 178.562 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -88.4 135.45 33.46 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.423 174.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.535 ' HA ' ' SG ' ' B' ' 32' ' ' CYS . 0.1 OUTLIER -46.38 -50.94 15.87 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 123.515 0.509 . . . . 0.0 110.814 178.296 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 40' ' ' THR . . . . . 0.723 HG23 HD12 ' A' ' 18' ' ' ILE . 5.3 m -60.65 -49.33 77.94 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.443 -179.186 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -55.61 -38.0 68.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.918 0.389 . . . . 0.0 110.466 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.65 ' HB3' HD11 ' B' ' 28' ' ' LEU . . . -67.72 -45.68 74.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.079 179.362 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.461 ' O ' HG22 ' B' ' 47' ' ' ILE . 1.5 mp -57.44 -46.4 85.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 120.866 0.365 . . . . 0.0 110.465 175.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.463 ' HG2' ' HB2' ' A' ' 20' ' ' MET . 47.2 mt-10 -62.66 -43.21 99.39 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.028 -178.617 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -63.29 -38.89 92.93 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.049 0.452 . . . . 0.0 109.967 173.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.75 ' HB1' ' HA ' ' A' ' 47' ' ' ILE . . . -62.24 -55.0 32.72 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.777 -179.393 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.744 ' HA ' ' HB1' ' A' ' 46' ' ' ALA . 20.0 tt -69.69 -23.89 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.128 0 CA-C-N 115.349 -0.842 . . . . 0.0 111.325 -177.35 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.577 ' HA ' ' HE3' ' B' ' 48' ' ' LYS . 0.5 OUTLIER -71.91 -60.46 2.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.137 177.049 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.7 -21.3 26.83 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.703 175.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 50' ' ' TYR . . . . . 0.646 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 60.4 t80 -70.6 -51.92 24.96 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.748 -178.266 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.44 ' HG ' ' HG3' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -58.34 -37.06 74.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.134 178.439 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.323 -0.554 0 C-N-CA 120.589 -0.445 . . . . 0.0 111.461 -178.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.429 ' O ' ' HA ' ' B' ' 19' ' ' TYR . . . . . . . . 0 N--CA 1.447 -0.615 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.452 HG22 ' CD1' ' B' ' 19' ' ' TYR . 2.2 t -109.19 161.27 7.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 177.093 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.609 ' O ' ' HA2' ' B' ' 17' ' ' GLY . 2.7 t80 -152.82 120.31 5.97 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -178.17 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.603 ' HA2' ' O ' ' B' ' 16' ' ' PHE . . . -126.81 96.57 0.46 Allowed Glycine 0 N--CA 1.451 -0.362 0 O-C-N 123.605 0.566 . . . . 0.0 111.704 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.742 HD12 HG23 ' B' ' 40' ' ' THR . 36.2 pt -124.78 169.23 16.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -174.155 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.464 ' CD1' HG22 ' B' ' 15' ' ' VAL . 75.5 m-85 -108.84 96.47 6.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.275 177.782 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.465 ' HB2' ' HG2' ' B' ' 44' ' ' GLU . 23.7 ptm -110.77 156.21 21.41 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.991 -177.431 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -59.68 153.8 19.36 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.203 0.525 . . . . 0.0 111.826 -176.094 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -77.17 -60.88 2.18 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.394 -174.207 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -50.67 -34.48 26.7 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 123.754 0.658 . . . . 0.0 111.638 -176.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.764 HD23 ' HE2' ' B' ' 48' ' ' LYS . 0.5 OUTLIER -76.16 -56.11 4.95 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.811 -179.784 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.406 ' N ' HD13 ' A' ' 24' ' ' LEU . 3.0 ttpm? -60.14 -31.81 70.43 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.809 0.814 . . . . 0.0 109.558 178.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.501 ' O ' HG23 ' A' ' 30' ' ' VAL . 95.0 m -78.81 -32.71 46.41 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.563 -1.198 . . . . 0.0 110.726 -177.792 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.607 ' HG3' ' HG ' ' B' ' 51' ' ' LEU . 13.2 tpp180 -56.9 -50.29 72.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.467 0.651 . . . . 0.0 109.58 171.774 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.736 HD11 ' HB3' ' A' ' 42' ' ' ALA . 3.2 tm? -63.13 -34.53 77.81 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.836 175.285 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.445 ' C ' ' HD3' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -57.54 -40.76 79.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.964 0.411 . . . . 0.0 110.085 175.657 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 26' ' ' THR . 85.0 t -67.39 -33.66 63.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.56 0.695 . . . . 0.0 110.724 177.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.416 ' HB3' HD22 ' A' ' 28' ' ' LEU . 69.2 t80 -65.03 -38.81 92.09 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.854 175.373 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.438 ' SG ' ' HA ' ' A' ' 39' ' ' LEU . 69.6 m -75.65 -21.36 57.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.764 178.543 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.08 -35.66 31.41 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.135 0.493 . . . . 0.0 110.152 176.478 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -70.65 -46.74 62.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.318 -179.067 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.457 ' HB3' HD13 ' A' ' 37' ' ' LEU . 39.1 m-80 -94.2 1.27 56.06 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.255 -178.316 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 57.32 22.72 8.07 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.903 -174.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.457 HD13 ' HB3' ' A' ' 35' ' ' ASN . 1.4 mp -70.2 166.4 20.08 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.358 0.599 . . . . 0.0 111.512 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -87.58 132.69 33.98 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.418 175.273 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.47 HD12 ' CZ ' ' B' ' 16' ' ' PHE . 0.1 OUTLIER -45.72 -49.94 14.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 123.678 0.611 . . . . 0.0 111.063 179.668 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.755 HG23 HD12 ' B' ' 18' ' ' ILE . 7.0 m -61.24 -48.87 79.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.579 -178.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -55.83 -37.84 69.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.084 0.469 . . . . 0.0 110.567 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.736 ' HB3' HD11 ' A' ' 28' ' ' LEU . . . -68.5 -45.54 72.05 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.049 179.108 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.474 ' O ' HG22 ' A' ' 47' ' ' ILE . 1.5 mp -57.2 -46.94 84.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.736 0.303 . . . . 0.0 110.505 176.344 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.475 ' HG2' ' HB2' ' B' ' 20' ' ' MET . 45.5 mt-10 -62.37 -44.99 95.17 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.968 -177.773 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -65.04 -33.84 77.0 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.859 0.361 . . . . 0.0 110.221 175.063 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.741 ' HB1' ' HA ' ' B' ' 47' ' ' ILE . . . -64.15 -56.13 16.92 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.594 178.458 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.745 ' HA ' ' HB1' ' B' ' 46' ' ' ALA . 19.1 tt -66.36 -30.06 48.63 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.029 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.355 -178.006 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.793 ' HE2' HD23 ' B' ' 24' ' ' LEU . 14.0 tppt? -67.75 -55.4 13.22 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.074 178.251 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -70.23 -11.71 61.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.778 0.323 . . . . 0.0 110.778 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.64 ' CD1' ' HA ' ' B' ' 46' ' ' ALA . 60.7 t80 -76.88 -45.92 26.43 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.084 177.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.599 ' HG ' ' HG3' ' B' ' 27' ' ' ARG . 0.2 OUTLIER -60.87 -37.81 83.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.398 177.101 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.322 -0.588 0 C-N-CA 120.305 -0.558 . . . . 0.0 111.227 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.419 ' O ' ' HA ' ' A' ' 19' ' ' TYR . . . . . . . . 0 N--CA 1.446 -0.637 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.464 HG22 ' CD1' ' A' ' 19' ' ' TYR . 2.3 t -109.64 161.38 8.04 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 177.365 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' PHE . . . . . 0.603 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 2.8 t80 -152.89 120.24 5.91 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 -178.225 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' GLY . . . . . 0.609 ' HA2' ' O ' ' A' ' 16' ' ' PHE . . . -126.85 96.37 0.45 Allowed Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 111.572 -0.611 . . . . 0.0 111.572 -179.659 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.755 HD12 HG23 ' A' ' 40' ' ' THR . 35.8 pt -124.42 169.28 15.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.92 0.39 . . . . 0.0 111.916 -174.324 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' TYR . . . . . 0.452 ' CD1' HG22 ' A' ' 15' ' ' VAL . 75.5 m-85 -108.79 96.37 6.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.22 177.689 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' MET . . . . . 0.475 ' HB2' ' HG2' ' A' ' 44' ' ' GLU . 23.9 ptm -110.59 156.21 21.26 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.828 -177.265 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -59.4 153.94 18.03 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.311 0.577 . . . . 0.0 111.805 -176.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -77.35 -60.69 2.26 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.565 -174.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -50.44 -34.99 26.65 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 123.793 0.683 . . . . 0.0 111.594 -176.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' LEU . . . . . 0.793 HD23 ' HE2' ' A' ' 48' ' ' LYS . 0.5 OUTLIER -76.0 -55.89 5.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.854 -179.521 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.414 ' N ' HD13 ' B' ' 24' ' ' LEU . 3.0 ttpm? -60.37 -31.9 70.78 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.793 0.806 . . . . 0.0 109.537 178.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' THR . . . . . 0.508 ' O ' HG23 ' B' ' 30' ' ' VAL . 97.5 m -78.44 -32.75 48.67 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.503 -1.226 . . . . 0.0 110.627 -177.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.599 ' HG3' ' HG ' ' A' ' 51' ' ' LEU . 13.2 tpp180 -57.31 -50.13 73.91 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.344 0.592 . . . . 0.0 109.486 172.082 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.723 HD11 ' HB3' ' B' ' 42' ' ' ALA . 3.1 tm? -63.16 -34.53 77.83 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.91 175.174 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.445 ' C ' ' HD3' ' B' ' 29' ' ' LYS . 0.9 OUTLIER -57.5 -40.92 79.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.092 0.472 . . . . 0.0 109.948 175.611 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.508 HG23 ' O ' ' B' ' 26' ' ' THR . 86.6 t -67.37 -33.8 64.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.463 0.649 . . . . 0.0 110.688 178.047 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' TYR . . . . . 0.413 ' HB3' HD22 ' B' ' 28' ' ' LEU . 68.9 t80 -64.89 -38.78 92.11 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.884 175.423 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 32' ' ' CYS . . . . . 0.451 ' SG ' ' HA ' ' B' ' 39' ' ' LEU . 69.3 m -75.34 -21.87 58.05 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.68 178.46 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.45 -36.05 34.1 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.168 0.508 . . . . 0.0 110.011 176.595 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -70.38 -46.8 63.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.404 -178.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ASN . . . . . 0.463 ' HB3' HD13 ' B' ' 37' ' ' LEU . 37.9 m-80 -94.37 1.3 55.87 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.298 -178.17 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 59.9 m-80 57.84 22.15 8.29 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.97 -175.234 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.463 HD13 ' HB3' ' B' ' 35' ' ' ASN . 1.4 mp -70.07 165.82 21.09 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.463 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -87.33 132.71 33.85 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.533 175.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.454 HD12 ' CZ ' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -45.66 -50.25 13.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 123.727 0.642 . . . . 0.0 111.049 179.717 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 40' ' ' THR . . . . . 0.742 HG23 HD12 ' A' ' 18' ' ' ILE . 6.9 m -60.91 -49.04 79.08 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.642 -178.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -55.87 -37.93 69.44 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.431 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.723 ' HB3' HD11 ' B' ' 28' ' ' LEU . . . -68.35 -45.69 72.15 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.043 179.043 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.474 ' O ' HG22 ' B' ' 47' ' ' ILE . 1.5 mp -57.01 -47.21 83.89 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.153 0 CA-C-O 120.787 0.327 . . . . 0.0 110.536 176.184 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.465 ' HG2' ' HB2' ' A' ' 20' ' ' MET . 44.9 mt-10 -62.13 -45.0 95.38 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.111 -177.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -65.06 -33.96 77.28 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 175.054 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.745 ' HB1' ' HA ' ' A' ' 47' ' ' ILE . . . -64.03 -56.27 16.24 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.563 178.483 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.741 ' HA ' ' HB1' ' A' ' 46' ' ' ALA . 19.1 tt -66.22 -30.16 49.01 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.067 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.224 -177.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.764 ' HE2' HD23 ' A' ' 24' ' ' LEU . 14.0 tppt? -67.85 -55.46 12.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.995 178.462 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -70.08 -11.77 61.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.815 0.34 . . . . 0.0 110.797 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' TYR . . . . . 0.625 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 61.0 t80 -76.87 -45.94 26.41 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.168 178.116 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.607 ' HG ' ' HG3' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -60.93 -37.64 83.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.493 176.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.518 0 C-N-CA 120.198 -0.601 . . . . 0.0 111.433 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.48 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.436 HG22 ' CD1' ' B' ' 19' ' ' TYR . 2.5 t -109.51 162.94 6.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.507 ' O ' ' HA2' ' B' ' 17' ' ' GLY . 3.2 t80 -151.83 121.11 6.77 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.516 ' HA2' ' O ' ' B' ' 16' ' ' PHE . . . -128.46 95.89 0.4 Allowed Glycine 0 N--CA 1.45 -0.406 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 -179.044 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.766 HD12 HG23 ' B' ' 40' ' ' THR . 41.8 pt -124.92 173.34 11.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.931 0.396 . . . . 0.0 111.475 -173.733 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.458 ' CD1' HG22 ' B' ' 15' ' ' VAL . 79.7 m-85 -117.07 101.45 8.49 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.097 179.184 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 22.0 ptm -115.27 158.04 22.91 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.306 -175.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.56 157.95 6.42 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.123 0.487 . . . . 0.0 111.867 -178.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.0 tttm -76.66 -65.16 0.97 Allowed 'General case' 0 C--O 1.214 -0.772 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.207 -178.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -46.3 -39.12 9.58 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.911 0.757 . . . . 0.0 112.157 -174.366 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.696 HD11 ' CG2' ' B' ' 47' ' ' ILE . 0.8 OUTLIER -71.3 -55.98 6.94 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.792 179.659 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.446 ' N ' HD13 ' A' ' 24' ' ' LEU . 3.8 ttpm? -61.5 -32.55 72.58 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 121.809 0.814 . . . . 0.0 109.906 178.468 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.497 ' O ' HG23 ' A' ' 30' ' ' VAL . 54.0 m -74.27 -37.72 63.63 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.666 -1.152 . . . . 0.0 110.773 -177.126 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.727 ' HG3' ' HG ' ' B' ' 51' ' ' LEU . 15.9 tpp180 -56.25 -50.48 71.2 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.691 173.456 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.67 HD11 ' HB3' ' A' ' 42' ' ' ALA . 3.0 tm? -61.84 -36.59 81.63 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.068 175.588 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.496 ' C ' ' HD3' ' A' ' 29' ' ' LYS . 0.7 OUTLIER -57.67 -40.34 79.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.123 0.487 . . . . 0.0 110.003 176.091 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 26' ' ' THR . 85.5 t -69.49 -32.43 52.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.608 0.718 . . . . 0.0 110.86 177.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.416 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 85.2 t80 -64.83 -38.55 91.37 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.7 174.438 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.427 ' SG ' HD13 ' A' ' 28' ' ' LEU . 69.2 m -74.86 -16.98 60.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.654 177.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.17 -34.53 20.5 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.21 0.529 . . . . 0.0 110.055 176.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -72.74 -46.11 55.2 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.244 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.422 ' HB3' HD13 ' A' ' 37' ' ' LEU . 34.3 m-80 -94.16 3.46 55.24 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.207 -178.275 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 53.53 25.28 4.66 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.328 -173.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.422 HD13 ' HB3' ' A' ' 35' ' ' ASN . 1.3 mp -72.64 164.45 26.46 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.361 0.6 . . . . 0.0 111.512 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -86.24 134.3 33.78 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.407 174.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.485 HD12 ' CZ ' ' B' ' 16' ' ' PHE . 0.2 OUTLIER -46.24 -50.48 15.89 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 123.657 0.598 . . . . 0.0 111.044 178.019 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.767 HG23 HD12 ' B' ' 18' ' ' ILE . 17.3 m -61.95 -47.85 83.0 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.095 -178.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -56.92 -37.6 71.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.544 179.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.67 ' HB3' HD11 ' A' ' 28' ' ' LEU . . . -68.5 -45.97 70.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.192 178.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.496 ' O ' HG22 ' A' ' 47' ' ' ILE . 1.5 mp -56.4 -46.64 82.05 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.185 0 CA-C-O 120.656 0.265 . . . . 0.0 110.34 176.303 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.446 ' HA ' HG22 ' A' ' 47' ' ' ILE . 45.6 mt-10 -62.17 -42.17 99.01 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.973 -179.2 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -62.42 -41.63 98.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.191 0.519 . . . . 0.0 109.895 173.565 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.701 ' HB1' ' HA ' ' B' ' 47' ' ' ILE . . . -61.3 -54.27 46.09 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.751 -178.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.733 ' HA ' ' HB1' ' B' ' 46' ' ' ALA . 20.3 tt -69.79 -24.87 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.17 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.022 -177.529 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.646 ' HE3' HD23 ' B' ' 24' ' ' LEU . 1.5 tpmt? -70.88 -61.04 1.91 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.123 177.559 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.07 -22.48 50.49 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.161 177.602 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.625 ' CD1' ' HA ' ' B' ' 46' ' ' ALA . 55.4 t80 -69.35 -51.48 36.49 Favored 'General case' 0 N--CA 1.439 -1.008 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.625 -178.376 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.701 ' HG ' ' HG3' ' B' ' 27' ' ' ARG . 0.2 OUTLIER -60.21 -35.56 75.68 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.314 178.085 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 C--N 1.323 -0.545 0 C-N-CA 120.688 -0.405 . . . . 0.0 111.153 179.926 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.531 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.458 HG22 ' CD1' ' A' ' 19' ' ' TYR . 2.5 t -109.56 163.04 6.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 179.533 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' PHE . . . . . 0.516 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 3.2 t80 -151.99 121.14 6.71 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' GLY . . . . . 0.507 ' HA2' ' O ' ' A' ' 16' ' ' PHE . . . -128.19 96.13 0.41 Allowed Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 111.431 -0.668 . . . . 0.0 111.431 -179.143 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.767 HD12 HG23 ' A' ' 40' ' ' THR . 42.2 pt -125.01 173.36 11.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.984 0.421 . . . . 0.0 111.39 -173.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' TYR . . . . . 0.436 ' CD1' HG22 ' A' ' 15' ' ' VAL . 79.4 m-85 -117.13 101.66 8.65 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.077 178.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 22.0 ptm -115.15 158.07 22.74 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.342 -176.043 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.92 158.17 6.88 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.162 0.506 . . . . 0.0 111.809 -178.763 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -76.81 -64.89 1.02 Allowed 'General case' 0 C--O 1.215 -0.742 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.237 -178.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -46.55 -39.05 10.3 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 123.939 0.775 . . . . 0.0 111.968 -174.132 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' LEU . . . . . 0.682 HD11 ' CG2' ' A' ' 47' ' ' ILE . 0.8 OUTLIER -71.37 -55.58 7.69 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.798 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.448 ' N ' HD13 ' B' ' 24' ' ' LEU . 3.9 ttpm? -61.88 -32.25 72.6 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 121.724 0.773 . . . . 0.0 109.894 178.354 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 26' ' ' THR . . . . . 0.48 ' O ' HG23 ' B' ' 30' ' ' VAL . 54.8 m -74.59 -37.89 62.76 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.678 -1.146 . . . . 0.0 110.537 -177.068 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.701 ' HG3' ' HG ' ' A' ' 51' ' ' LEU . 15.9 tpp180 -55.84 -50.94 69.19 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.631 173.502 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.654 HD11 ' HB3' ' B' ' 42' ' ' ALA . 3.0 tm? -61.7 -36.35 80.66 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.162 175.652 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.496 ' C ' ' HD3' ' B' ' 29' ' ' LYS . 0.7 OUTLIER -57.63 -40.59 79.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.088 0.471 . . . . 0.0 109.953 175.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.48 HG23 ' O ' ' B' ' 26' ' ' THR . 84.8 t -69.28 -32.85 55.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.716 177.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 31' ' ' TYR . . . . . 0.418 ' HB3' HD22 ' B' ' 28' ' ' LEU . 84.6 t80 -64.5 -38.82 92.34 Favored 'General case' 0 C--N 1.313 -1.022 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.557 174.449 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 32' ' ' CYS . . . . . 0.423 ' SG ' HD13 ' B' ' 28' ' ' LEU . 70.7 m -74.68 -17.2 60.71 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.705 178.135 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.13 -34.36 20.62 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.335 0.588 . . . . 0.0 109.978 176.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -72.67 -46.33 54.43 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.113 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ASN . . . . . 0.412 ' HB3' HD13 ' B' ' 37' ' ' LEU . 34.5 m-80 -94.16 3.37 55.38 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.201 -178.128 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 53.55 25.79 5.11 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.16 -174.033 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.412 HD13 ' HB3' ' B' ' 35' ' ' ASN . 1.3 mp -72.97 164.77 26.19 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-O 121.338 0.59 . . . . 0.0 111.489 179.511 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -86.71 134.61 33.58 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.118 -0.946 . . . . 0.0 109.214 174.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.487 HD12 ' CZ ' ' A' ' 16' ' ' PHE . 0.2 OUTLIER -46.53 -50.41 17.23 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 123.602 0.564 . . . . 0.0 111.019 178.036 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 40' ' ' THR . . . . . 0.766 HG23 HD12 ' A' ' 18' ' ' ILE . 18.0 m -61.93 -47.64 84.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.227 -179.194 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -57.16 -37.51 72.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.448 179.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.654 ' HB3' HD11 ' B' ' 28' ' ' LEU . . . -68.57 -45.93 70.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.132 178.771 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.495 ' O ' HG22 ' B' ' 47' ' ' ILE . 1.5 mp -56.63 -46.25 82.74 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.261 0 CA-C-O 120.708 0.289 . . . . 0.0 110.318 176.76 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.444 ' HA ' HG22 ' B' ' 47' ' ' ILE . 47.1 mt-10 -62.41 -42.0 99.1 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.052 -179.183 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -62.45 -41.61 98.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.339 0.59 . . . . 0.0 109.768 173.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.733 ' HB1' ' HA ' ' A' ' 47' ' ' ILE . . . -61.24 -54.33 45.57 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.707 -178.796 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.701 ' HA ' ' HB1' ' A' ' 46' ' ' ALA . 20.4 tt -69.62 -24.95 27.68 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.206 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.028 -177.636 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.659 ' HE3' HD23 ' A' ' 24' ' ' LEU . 1.5 tpmt? -71.01 -60.78 2.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.292 177.632 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.29 -22.42 52.75 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 177.488 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 50' ' ' TYR . . . . . 0.63 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 55.9 t80 -69.34 -51.6 35.35 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.571 -178.431 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.727 ' HG ' ' HG3' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -60.51 -34.75 74.53 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.551 178.023 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 C--N 1.323 -0.586 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.094 179.7 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.687 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.421 HG22 ' CD1' ' B' ' 19' ' ' TYR . 2.2 t -102.28 160.28 4.17 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 -178.287 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.538 ' O ' ' HA2' ' B' ' 17' ' ' GLY . 2.3 t80 -146.85 123.27 11.01 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.454 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.527 ' HA2' ' O ' ' B' ' 16' ' ' PHE . . . -131.43 90.95 0.28 Allowed Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.527 -177.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.728 HD12 HG23 ' B' ' 40' ' ' THR . 47.3 pt -122.51 162.99 21.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.844 0.354 . . . . 0.0 111.413 -174.531 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.455 ' CD1' HG22 ' B' ' 15' ' ' VAL . 63.8 m-85 -108.28 94.47 5.08 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.839 -0.618 . . . . 0.0 109.968 175.087 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.779 ' SD ' ' HB2' ' A' ' 25' ' ' LYS . 1.8 ptp -98.87 178.81 4.84 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.879 177.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.7 158.18 35.15 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 121.206 0.527 . . . . 0.0 110.932 176.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.0 tttm -78.91 -59.11 2.91 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.583 -177.392 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -47.6 -38.83 15.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.03 0.831 . . . . 0.0 111.873 -175.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.685 HD11 HG23 ' B' ' 47' ' ' ILE . 0.9 OUTLIER -73.78 -59.02 2.91 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.751 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.779 ' HB2' ' SD ' ' A' ' 20' ' ' MET . 3.1 ttpm? -51.85 -38.15 54.85 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.965 0.888 . . . . 0.0 109.732 176.217 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.488 ' O ' HG23 ' A' ' 30' ' ' VAL . 98.8 m -75.89 -32.12 59.53 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.09 -1.414 . . . . 0.0 110.904 -175.477 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.522 ' HG3' ' HG ' ' B' ' 51' ' ' LEU . 17.7 tpp180 -57.95 -53.76 54.63 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.28 172.053 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.673 HD11 ' HB3' ' A' ' 42' ' ' ALA . 3.0 tm? -60.1 -36.16 76.82 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.325 174.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.407 ' C ' ' HD3' ' A' ' 29' ' ' LYS . 13.6 tmtt? -56.05 -45.14 79.35 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.117 0.484 . . . . 0.0 110.579 176.267 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 26' ' ' THR . 90.6 t -66.67 -34.02 67.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.482 0.658 . . . . 0.0 110.655 179.13 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.414 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 91.3 t80 -63.1 -39.06 93.59 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.697 174.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.454 ' SG ' HD13 ' A' ' 28' ' ' LEU . 71.9 m -69.16 -36.62 77.58 Favored 'General case' 0 C--O 1.216 -0.687 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.725 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.85 -37.93 73.15 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 121.325 0.583 . . . . 0.0 110.563 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -71.96 -37.99 69.85 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.66 -177.337 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.577 ' HB3' HD13 ' A' ' 37' ' ' LEU . 34.8 m-80 -96.09 -1.35 48.83 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.585 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 60.92 24.24 14.28 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.61 -174.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.577 HD13 ' HB3' ' A' ' 35' ' ' ASN . 2.6 mp -75.93 163.66 26.97 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.034 178.051 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -91.66 134.1 34.99 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.372 176.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.442 HD12 ' CZ ' ' B' ' 16' ' ' PHE . 0.2 OUTLIER -45.3 -51.5 10.9 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 123.496 0.498 . . . . 0.0 111.3 178.621 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.739 HG23 HD12 ' B' ' 18' ' ' ILE . 14.5 m -60.15 -47.73 84.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.017 -179.528 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -56.6 -38.78 72.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.264 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.673 ' HB3' HD11 ' A' ' 28' ' ' LEU . . . -69.73 -44.24 70.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.162 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.47 HG21 HD11 ' B' ' 18' ' ' ILE . 1.5 mp -58.34 -46.22 89.23 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.362 0 CA-C-O 120.535 0.207 . . . . 0.0 110.518 175.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.605 ' HG2' ' HB2' ' B' ' 20' ' ' MET . 46.9 mt-10 -61.15 -44.55 97.14 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.668 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -61.16 -40.91 95.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.007 0.432 . . . . 0.0 109.893 174.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.686 ' HB1' ' HA ' ' B' ' 47' ' ' ILE . . . -63.1 -54.09 43.41 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.623 -179.027 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.677 ' HA ' ' HB1' ' B' ' 46' ' ' ALA . 21.1 tt -69.46 -27.0 32.49 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.987 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.073 -177.408 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.58 ' HA ' ' HE3' ' A' ' 48' ' ' LYS . 0.6 OUTLIER -70.79 -56.39 6.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.894 0.378 . . . . 0.0 110.454 179.15 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -72.76 -9.1 58.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.826 -177.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.611 ' CD1' ' HA ' ' B' ' 46' ' ' ALA . 66.9 t80 -76.15 -45.3 34.21 Favored 'General case' 0 N--CA 1.434 -1.235 0 CA-C-N 116.114 -0.493 . . . . 0.0 109.854 176.216 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.509 ' HG ' ' HG3' ' B' ' 27' ' ' ARG . 0.2 OUTLIER -60.6 -38.41 84.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.169 175.534 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 C--N 1.325 -0.477 0 C-N-CA 120.6 -0.44 . . . . 0.0 111.522 -179.102 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.682 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.455 HG22 ' CD1' ' A' ' 19' ' ' TYR . 2.2 t -102.12 160.07 4.16 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.054 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 -178.552 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' PHE . . . . . 0.527 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 2.3 t80 -146.7 123.21 11.07 Favored 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.251 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 17' ' ' GLY . . . . . 0.538 ' HA2' ' O ' ' A' ' 16' ' ' PHE . . . -130.95 90.99 0.29 Allowed Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.995 -0.621 . . . . 0.0 111.616 -178.093 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.739 HD12 HG23 ' A' ' 40' ' ' THR . 47.5 pt -122.48 163.06 21.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 120.737 0.303 . . . . 0.0 111.352 -174.346 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' TYR . . . . . 0.421 ' CD1' HG22 ' A' ' 15' ' ' VAL . 64.1 m-85 -108.26 95.06 5.41 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.898 174.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 20' ' ' MET . . . . . 0.771 ' SD ' ' HB2' ' B' ' 25' ' ' LYS . 1.7 ptp -99.33 178.87 4.76 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.812 177.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.65 158.07 35.42 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-O 121.148 0.499 . . . . 0.0 110.778 177.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 51.2 tttm -78.73 -59.43 2.78 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.63 -177.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -47.47 -38.67 14.18 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.023 0.827 . . . . 0.0 111.905 -175.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' LEU . . . . . 0.699 HD23 ' SD ' ' B' ' 20' ' ' MET . 0.9 OUTLIER -73.97 -58.93 2.97 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.738 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.771 ' HB2' ' SD ' ' B' ' 20' ' ' MET . 3.1 ttpm? -51.86 -38.42 55.9 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.936 0.874 . . . . 0.0 109.731 176.036 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 26' ' ' THR . . . . . 0.489 ' O ' HG23 ' B' ' 30' ' ' VAL . 99.2 m -75.5 -32.17 60.45 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.093 -1.412 . . . . 0.0 110.82 -175.612 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.509 ' HG3' ' HG ' ' A' ' 51' ' ' LEU . 17.8 tpp180 -58.04 -53.82 53.92 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 172.151 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.672 HD11 ' HB3' ' B' ' 42' ' ' ALA . 3.0 tm? -60.21 -35.85 76.33 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.407 174.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.4 ' C ' ' HD3' ' B' ' 29' ' ' LYS . 13.6 tmtt? -56.26 -45.0 80.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.11 0.481 . . . . 0.0 110.517 176.2 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.489 HG23 ' O ' ' B' ' 26' ' ' THR . 93.4 t -66.79 -34.15 68.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.418 0.628 . . . . 0.0 110.599 179.166 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' TYR . . . . . 0.401 ' HB3' ' O ' ' B' ' 28' ' ' LEU . 91.5 t80 -62.89 -39.01 93.2 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.765 174.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 32' ' ' CYS . . . . . 0.449 ' SG ' HD13 ' B' ' 28' ' ' LEU . 72.0 m -69.27 -36.34 77.0 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.012 179.17 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.96 -37.82 72.78 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 121.32 0.581 . . . . 0.0 110.588 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -72.32 -37.69 68.86 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.648 -177.194 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' ASN . . . . . 0.559 ' HB3' HD13 ' B' ' 37' ' ' LEU . 35.5 m-80 -96.42 -1.12 48.17 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.591 179.657 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 60.49 24.5 14.12 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.547 -174.437 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.559 HD13 ' HB3' ' B' ' 35' ' ' ASN . 2.7 mp -76.2 163.31 27.19 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.965 178.03 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -91.19 134.28 34.68 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.415 176.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.431 HD12 ' CZ ' ' A' ' 16' ' ' PHE . 0.2 OUTLIER -45.22 -51.45 10.67 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 123.426 0.454 . . . . 0.0 111.265 178.334 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 40' ' ' THR . . . . . 0.728 HG23 HD12 ' A' ' 18' ' ' ILE . 15.1 m -60.12 -47.87 84.1 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.98 -179.279 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -56.31 -38.98 72.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.505 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.672 ' HB3' HD11 ' B' ' 28' ' ' LEU . . . -69.78 -44.2 70.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.215 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.462 HG21 HD11 ' A' ' 18' ' ' ILE . 1.5 mp -58.34 -46.36 89.18 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 CA-C-O 120.626 0.251 . . . . 0.0 110.349 175.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.573 ' HG2' ' HB2' ' A' ' 20' ' ' MET . 47.3 mt-10 -61.16 -44.94 96.52 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.664 -179.481 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -60.61 -40.87 93.43 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.249 0.547 . . . . 0.0 109.877 174.201 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.677 ' HB1' ' HA ' ' A' ' 47' ' ' ILE . . . -63.25 -54.18 41.4 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.62 -178.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.686 ' HA ' ' HB1' ' A' ' 46' ' ' ALA . 21.2 tt -69.28 -27.12 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.99 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.056 -177.428 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.57 ' HA ' ' HE3' ' B' ' 48' ' ' LYS . 0.6 OUTLIER -70.75 -56.22 6.87 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 121.156 0.503 . . . . 0.0 110.556 179.368 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -72.65 -9.67 58.88 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.808 -177.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' TYR . . . . . 0.605 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 66.6 t80 -75.72 -45.01 39.06 Favored 'General case' 0 N--CA 1.434 -1.243 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.824 176.398 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.522 ' HG ' ' HG3' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -61.01 -38.39 85.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.953 175.815 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 . . . . . 0 C--N 1.322 -0.597 0 C-N-CA 120.526 -0.47 . . . . 0.0 111.423 -179.021 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.541 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.441 HG22 ' CD1' ' B' ' 19' ' ' TYR . 2.4 t -106.56 162.68 5.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.492 ' O ' ' HA2' ' B' ' 17' ' ' GLY . 3.4 t80 -152.24 124.59 8.22 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.484 ' HA2' ' O ' ' B' ' 16' ' ' PHE . . . -131.16 98.92 0.4 Allowed Glycine 0 N--CA 1.45 -0.367 0 N-CA-C 111.615 -0.594 . . . . 0.0 111.615 -179.303 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.786 HD12 HG23 ' B' ' 40' ' ' THR . 45.1 pt -127.37 171.56 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.747 0.308 . . . . 0.0 111.652 -174.242 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.457 ' CD1' HG22 ' B' ' 15' ' ' VAL . 73.8 m-85 -115.52 96.76 5.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.023 176.511 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.458 ' HB2' ' HG2' ' B' ' 44' ' ' GLU . 21.3 ptm -107.37 163.18 13.26 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.504 -177.39 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.77 156.75 10.59 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.078 0.466 . . . . 0.0 111.284 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -79.19 -63.09 1.5 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.806 -177.338 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -48.19 -39.39 20.81 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 123.874 0.734 . . . . 0.0 111.631 -175.057 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.776 HD11 HG23 ' B' ' 47' ' ' ILE . 0.2 OUTLIER -68.4 -58.08 4.89 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.719 179.486 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.467 ' HD2' ' CD1' ' B' ' 16' ' ' PHE . 3.3 ttpm? -59.68 -33.88 72.14 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.453 0.644 . . . . 0.0 110.1 178.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.528 ' O ' HG23 ' A' ' 30' ' ' VAL . 19.7 m -75.42 -34.23 60.99 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.556 -177.654 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.55 ' HG3' ' HG ' ' B' ' 51' ' ' LEU . 16.7 tpp180 -57.58 -54.08 50.92 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.49 0.662 . . . . 0.0 109.48 173.53 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.687 HD11 ' HB3' ' A' ' 42' ' ' ALA . 3.1 tm? -58.86 -36.12 74.08 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.443 174.513 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.405 ' C ' ' HD3' ' A' ' 29' ' ' LYS . 1.4 tmtp? -57.96 -42.46 85.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.979 0.418 . . . . 0.0 110.029 176.205 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 26' ' ' THR . 94.9 t -66.74 -34.71 71.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.572 177.407 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.442 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 91.3 t80 -62.58 -39.1 92.63 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.767 175.471 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.562 ' SG ' ' HA ' ' A' ' 39' ' ' LEU . 80.9 m -72.33 -32.06 66.2 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.123 179.537 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.2 -37.09 58.25 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.286 0.565 . . . . 0.0 110.437 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -74.21 -38.6 63.53 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.37 -177.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.427 ' HB3' HD13 ' A' ' 37' ' ' LEU . 42.2 m-80 -94.81 0.48 54.91 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.155 179.102 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 57.56 23.63 9.47 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.055 -175.264 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.427 HD13 ' HB3' ' A' ' 35' ' ' ASN . 1.4 mp -72.95 168.01 19.87 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.042 177.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -90.47 132.95 35.37 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.308 174.03 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.562 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 0.1 OUTLIER -45.73 -51.58 12.31 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 123.716 0.635 . . . . 0.0 110.683 178.802 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.805 HG23 HD12 ' B' ' 18' ' ' ILE . 10.4 m -59.59 -49.2 78.69 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.643 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.547 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 33.8 tt0 -55.84 -38.37 69.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.113 0.483 . . . . 0.0 110.528 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.687 ' HB3' HD11 ' A' ' 28' ' ' LEU . . . -67.36 -44.61 78.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.747 179.535 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.425 HG21 HD11 ' B' ' 18' ' ' ILE . 1.5 mp -58.21 -46.21 88.7 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.251 0 CA-C-O 120.941 0.4 . . . . 0.0 110.319 175.11 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.484 ' HG2' ' HB2' ' B' ' 20' ' ' MET . 47.8 mt-10 -62.02 -41.95 98.64 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.185 -178.56 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' A' ' 41' ' ' GLN . 10.5 mm-40 -69.0 -34.09 74.72 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 175.64 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.697 ' HB1' ' HA ' ' B' ' 47' ' ' ILE . . . -63.9 -54.91 27.33 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.527 178.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.79 HG23 HD11 ' B' ' 24' ' ' LEU . 20.8 tt -69.08 -24.79 28.55 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.209 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.073 -177.177 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.578 ' HA ' ' HE3' ' A' ' 48' ' ' LYS . 0.6 OUTLIER -74.05 -57.48 3.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.072 178.302 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -62.08 -16.51 52.67 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 176.391 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.647 ' CD1' ' HA ' ' B' ' 46' ' ' ALA . 56.9 t80 -71.67 -52.55 17.31 Favored 'General case' 0 N--CA 1.439 -0.975 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.231 177.101 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.563 ' HG ' ' HG3' ' B' ' 27' ' ' ARG . 0.2 OUTLIER -58.11 -33.68 69.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.353 177.509 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.323 -0.555 0 CA-C-O 120.693 0.282 . . . . 0.0 110.948 178.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.483 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.457 HG22 ' CD1' ' A' ' 19' ' ' TYR . 2.4 t -106.43 162.7 5.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' PHE . . . . . 0.484 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 3.4 t80 -152.16 123.73 7.84 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.856 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 17' ' ' GLY . . . . . 0.492 ' HA2' ' O ' ' A' ' 16' ' ' PHE . . . -130.06 99.61 0.45 Allowed Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 111.496 -0.642 . . . . 0.0 111.496 -179.506 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.805 HD12 HG23 ' A' ' 40' ' ' THR . 45.4 pt -127.65 171.83 15.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.941 0.4 . . . . 0.0 111.776 -174.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' TYR . . . . . 0.441 ' CD1' HG22 ' A' ' 15' ' ' VAL . 73.5 m-85 -115.82 96.89 5.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.989 176.487 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' MET . . . . . 0.484 ' HB2' ' HG2' ' A' ' 44' ' ' GLU . 21.4 ptm -107.52 163.02 13.42 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.477 -177.41 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.67 156.51 10.78 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.171 0.51 . . . . 0.0 111.216 179.199 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -79.01 -63.45 1.42 Allowed 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.774 -177.197 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -47.71 -39.86 18.69 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 123.878 0.736 . . . . 0.0 111.691 -175.126 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' LEU . . . . . 0.79 HD11 HG23 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -68.16 -58.13 4.94 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.716 179.567 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.459 ' HD2' ' CD1' ' A' ' 16' ' ' PHE . 3.3 ttpm? -59.52 -33.79 71.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.52 0.676 . . . . 0.0 110.158 178.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' THR . . . . . 0.514 ' O ' HG23 ' B' ' 30' ' ' VAL . 19.7 m -75.59 -34.29 60.63 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.723 -177.658 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.563 ' HG3' ' HG ' ' A' ' 51' ' ' LEU . 16.9 tpp180 -57.44 -54.35 47.83 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.556 0.693 . . . . 0.0 109.603 173.31 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.66 HD11 ' HB3' ' B' ' 42' ' ' ALA . 3.1 tm? -58.55 -36.2 73.53 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.35 174.449 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.417 ' C ' ' HD3' ' B' ' 29' ' ' LYS . 1.3 tmtp? -58.03 -42.3 85.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.97 0.414 . . . . 0.0 109.998 176.322 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.514 HG23 ' O ' ' B' ' 26' ' ' THR . 92.5 t -66.9 -34.72 71.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.456 0.646 . . . . 0.0 110.479 177.454 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' TYR . . . . . 0.439 ' HB3' ' O ' ' B' ' 28' ' ' LEU . 91.4 t80 -62.65 -39.05 92.68 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.796 175.64 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 32' ' ' CYS . . . . . 0.566 ' SG ' ' HA ' ' B' ' 39' ' ' LEU . 77.6 m -72.17 -32.37 66.78 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.145 179.333 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.87 -37.36 59.0 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.294 0.569 . . . . 0.0 110.394 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -73.73 -38.83 64.65 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.404 -177.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' ASN . . . . . 0.428 ' HB3' HD13 ' B' ' 37' ' ' LEU . 41.0 m-80 -94.61 0.26 55.02 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.233 179.27 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 57.46 24.07 9.8 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.514 -0.767 . . . . 0.0 111.076 -175.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.428 HD13 ' HB3' ' B' ' 35' ' ' ASN . 1.4 mp -73.2 167.84 20.35 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.114 177.708 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -90.52 132.7 35.54 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.301 174.395 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.566 ' HA ' ' SG ' ' B' ' 32' ' ' CYS . 0.1 OUTLIER -45.57 -51.27 12.21 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 123.624 0.578 . . . . 0.0 110.669 179.06 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 40' ' ' THR . . . . . 0.786 HG23 HD12 ' A' ' 18' ' ' ILE . 8.9 m -59.64 -49.42 77.82 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.673 -179.167 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.551 ' O ' ' HG2' ' B' ' 45' ' ' GLU . 33.6 tt0 -55.9 -38.34 70.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.367 -179.497 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.66 ' HB3' HD11 ' B' ' 28' ' ' LEU . . . -67.36 -44.81 78.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.773 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.417 ' O ' HG22 ' B' ' 47' ' ' ILE . 1.5 mp -57.96 -46.18 87.75 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.234 0 CA-C-O 120.903 0.383 . . . . 0.0 110.408 174.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.458 ' HG2' ' HB2' ' A' ' 20' ' ' MET . 47.6 mt-10 -62.19 -41.96 98.84 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.093 -178.399 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.551 ' HG2' ' O ' ' B' ' 41' ' ' GLN . 9.3 mm-40 -69.3 -33.74 73.65 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 175.661 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.709 ' HB1' ' HA ' ' A' ' 47' ' ' ILE . . . -63.88 -54.84 28.47 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.53 178.542 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.776 HG23 HD11 ' A' ' 24' ' ' LEU . 20.9 tt -69.36 -24.46 27.66 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.119 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.003 -176.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.574 ' HA ' ' HE3' ' B' ' 48' ' ' LYS . 0.6 OUTLIER -74.12 -57.47 3.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.292 -0.413 . . . . 0.0 109.893 178.374 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -62.21 -16.66 54.73 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 176.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' TYR . . . . . 0.634 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 56.9 t80 -71.53 -52.7 16.88 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.301 177.147 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.55 ' HG ' ' HG3' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -57.97 -33.51 68.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.345 177.316 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.323 -0.549 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.872 178.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.422 ' O ' ' HA ' ' B' ' 19' ' ' TYR . . . . . . . . 0 N--CA 1.449 -0.515 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.414 HG22 ' CD1' ' B' ' 19' ' ' TYR . 2.2 t -110.02 161.14 8.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 179.064 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.582 ' O ' ' HA2' ' B' ' 17' ' ' GLY . 1.6 t80 -148.68 130.28 14.94 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.32 -0.4 . . . . 0.0 109.932 -177.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.59 ' HA2' ' O ' ' B' ' 16' ' ' PHE . . . -134.5 94.31 0.26 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.689 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.693 HD12 HG23 ' B' ' 40' ' ' THR . 43.6 pt -126.17 168.5 18.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.856 0.36 . . . . 0.0 111.83 -174.102 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.421 ' CD1' HG22 ' B' ' 15' ' ' VAL . 65.2 m-85 -109.37 97.35 6.95 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.959 176.74 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 22.6 ptm -108.59 156.73 19.19 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.264 -177.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -60.67 154.78 20.56 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.214 0.53 . . . . 0.0 112.359 -175.317 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -74.43 -64.51 1.01 Allowed 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.968 -174.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -49.92 -38.56 36.75 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 123.857 0.723 . . . . 0.0 111.541 -176.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.719 HD23 ' HE3' ' B' ' 48' ' ' LYS . 0.7 OUTLIER -68.91 -56.48 7.76 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.784 -179.836 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.447 ' N ' HD13 ' A' ' 24' ' ' LEU . 3.2 ttpm? -62.63 -30.29 71.25 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 121.751 0.786 . . . . 0.0 109.525 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.501 ' O ' HG23 ' A' ' 30' ' ' VAL . 20.9 m -74.83 -40.2 61.19 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.581 -1.19 . . . . 0.0 111.206 -177.344 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.502 ' HG3' ' HG ' ' B' ' 51' ' ' LEU . 12.3 tpp180 -55.59 -47.33 76.66 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.333 0.587 . . . . 0.0 110.045 173.671 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.653 HD11 ' HB3' ' A' ' 42' ' ' ALA . 3.2 tm? -65.01 -35.61 81.74 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.817 176.607 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.463 ' C ' ' HD3' ' A' ' 29' ' ' LYS . 1.2 tmtp? -57.1 -39.16 74.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.091 0.472 . . . . 0.0 110.008 175.537 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 26' ' ' THR . 57.7 t -68.74 -33.32 58.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.513 0.673 . . . . 0.0 110.819 177.555 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.442 ' HB3' HD22 ' A' ' 28' ' ' LEU . 90.6 t80 -65.79 -37.74 87.11 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.753 175.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.442 ' SG ' ' HA ' ' A' ' 39' ' ' LEU . 74.3 m -73.42 -19.53 60.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.834 177.632 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.39 -39.59 20.48 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.208 0.528 . . . . 0.0 109.947 175.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -69.67 -43.45 72.53 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.499 -178.141 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.595 ' HB3' HD13 ' A' ' 37' ' ' LEU . 34.1 m-80 -95.92 1.07 52.69 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.299 -179.374 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 55.14 24.36 6.12 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.694 -173.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.595 HD13 ' HB3' ' A' ' 35' ' ' ASN . 3.4 mp -69.71 163.85 24.77 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.417 0.627 . . . . 0.0 111.76 177.57 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -87.09 136.14 33.03 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.295 -0.866 . . . . 0.0 108.954 171.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.442 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 0.2 OUTLIER -45.21 -47.45 12.63 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 123.546 0.529 . . . . 0.0 111.043 179.696 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.721 HG23 HD12 ' B' ' 18' ' ' ILE . 9.6 m -62.25 -49.13 76.94 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.512 -179.196 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.438 ' OE1' ' HG ' ' A' ' 37' ' ' LEU . 0.9 OUTLIER -57.36 -36.19 70.88 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.024 0.44 . . . . 0.0 110.379 -179.352 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.653 ' HB3' HD11 ' A' ' 28' ' ' LEU . . . -69.12 -45.88 69.07 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.92 178.596 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.507 ' O ' HG22 ' A' ' 47' ' ' ILE . 1.5 mp -57.03 -45.58 83.95 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-O 120.718 0.294 . . . . 0.0 110.439 175.756 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.46 ' HA ' HG22 ' A' ' 47' ' ' ILE . 43.3 mt-10 -63.19 -47.2 83.6 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.901 -178.23 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -59.16 -36.99 76.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.826 0.346 . . . . 0.0 110.42 172.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.754 ' HB1' ' HA ' ' B' ' 47' ' ' ILE . . . -63.13 -56.88 13.05 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.586 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.769 ' HA ' ' HB1' ' B' ' 46' ' ' ALA . 19.7 tt -67.8 -27.94 39.74 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.103 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.316 -178.039 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.723 ' HE3' HD23 ' B' ' 24' ' ' LEU . 2.5 tpmt? -69.81 -59.46 2.92 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.407 176.533 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -62.76 -13.93 38.83 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 177.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.688 ' CD1' ' HA ' ' B' ' 46' ' ' ALA . 53.2 t80 -73.29 -54.15 9.09 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.708 179.056 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.5 ' HG ' ' HG3' ' B' ' 27' ' ' ARG . 0.2 OUTLIER -57.51 -37.73 73.46 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.003 179.301 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 C--N 1.32 -0.707 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.249 -179.14 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.415 ' O ' ' HA ' ' A' ' 19' ' ' TYR . . . . . . . . 0 N--CA 1.449 -0.518 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.421 HG22 ' CD1' ' A' ' 19' ' ' TYR . 2.2 t -109.72 161.58 7.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 178.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' PHE . . . . . 0.59 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 1.6 t80 -148.97 130.37 14.74 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 116.231 -0.44 . . . . 0.0 109.849 -177.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 17' ' ' GLY . . . . . 0.582 ' HA2' ' O ' ' A' ' 16' ' ' PHE . . . -134.69 94.29 0.25 Allowed Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 121.079 -0.581 . . . . 0.0 111.69 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.721 HD12 HG23 ' A' ' 40' ' ' THR . 43.9 pt -126.09 168.8 18.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -174.232 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' TYR . . . . . 0.422 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 64.9 m-85 -109.75 97.22 6.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.893 176.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 22.6 ptm -108.6 156.77 19.16 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.339 -177.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -60.78 154.9 20.64 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.213 0.53 . . . . 0.0 112.343 -175.172 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -74.4 -64.7 0.97 Allowed 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.84 -174.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -49.87 -38.24 34.53 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 123.807 0.692 . . . . 0.0 111.411 -176.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' LEU . . . . . 0.723 HD23 ' HE3' ' A' ' 48' ' ' LYS . 0.7 OUTLIER -69.38 -56.41 7.56 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.715 -179.56 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.442 ' N ' HD13 ' B' ' 24' ' ' LEU . 3.2 ttpm? -62.73 -29.96 71.07 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-O 121.73 0.776 . . . . 0.0 109.534 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 26' ' ' THR . . . . . 0.475 ' O ' HG23 ' B' ' 30' ' ' VAL . 22.1 m -74.92 -40.42 60.87 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.532 -1.213 . . . . 0.0 111.046 -177.37 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.5 ' HG3' ' HG ' ' A' ' 51' ' ' LEU . 12.3 tpp180 -55.72 -47.16 77.36 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.316 0.579 . . . . 0.0 109.983 173.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.633 HD11 ' HB3' ' B' ' 42' ' ' ALA . 3.2 tm? -65.16 -35.36 80.84 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.959 176.725 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.459 ' C ' ' HD3' ' B' ' 29' ' ' LYS . 1.3 tmtp? -57.35 -39.03 75.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.005 0.431 . . . . 0.0 110.034 175.512 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.475 HG23 ' O ' ' B' ' 26' ' ' THR . 58.9 t -68.8 -33.64 60.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.676 0.75 . . . . 0.0 110.713 177.351 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' TYR . . . . . 0.441 ' HB3' HD22 ' B' ' 28' ' ' LEU . 90.3 t80 -65.63 -37.6 87.04 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.664 176.041 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' CYS . . . . . 0.453 ' SG ' ' HA ' ' B' ' 39' ' ' LEU . 80.9 m -73.62 -19.71 60.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.904 177.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.94 -40.24 20.37 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.284 0.564 . . . . 0.0 109.848 175.39 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -68.9 -43.94 74.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.366 -178.04 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' ASN . . . . . 0.617 ' HB3' HD13 ' B' ' 37' ' ' LEU . 35.5 m-80 -95.62 1.04 53.47 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.225 -179.13 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 55.31 23.8 5.93 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.557 -174.256 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.617 HD13 ' HB3' ' B' ' 35' ' ' ASN . 3.3 mp -69.36 163.83 24.28 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.389 0.614 . . . . 0.0 111.659 177.679 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -86.94 136.63 32.87 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.283 -0.871 . . . . 0.0 108.801 171.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.453 ' HA ' ' SG ' ' B' ' 32' ' ' CYS . 0.2 OUTLIER -45.64 -47.19 14.9 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 123.663 0.602 . . . . 0.0 110.964 179.675 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 40' ' ' THR . . . . . 0.693 HG23 HD12 ' A' ' 18' ' ' ILE . 10.2 m -62.52 -49.11 76.65 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.567 -179.321 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.432 ' OE1' ' HG ' ' B' ' 37' ' ' LEU . 0.9 OUTLIER -57.21 -36.24 70.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.056 0.455 . . . . 0.0 110.548 -179.597 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.633 ' HB3' HD11 ' B' ' 28' ' ' LEU . . . -68.96 -46.14 68.88 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.842 178.672 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.499 ' O ' HG22 ' B' ' 47' ' ' ILE . 1.5 mp -57.09 -45.58 84.23 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.297 0 CA-C-O 120.541 0.21 . . . . 0.0 110.494 175.757 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.443 ' HA ' HG22 ' B' ' 47' ' ' ILE . 43.0 mt-10 -63.06 -46.97 84.98 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 -178.47 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -59.31 -36.74 76.17 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.779 0.324 . . . . 0.0 110.452 172.288 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.769 ' HB1' ' HA ' ' A' ' 47' ' ' ILE . . . -63.59 -56.77 13.32 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.453 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.754 ' HA ' ' HB1' ' A' ' 46' ' ' ALA . 19.7 tt -67.79 -27.89 39.59 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.033 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.323 -178.207 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.719 ' HE3' HD23 ' A' ' 24' ' ' LEU . 2.5 tpmt? -69.99 -59.29 3.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.442 176.532 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -62.64 -14.09 39.39 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 177.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' TYR . . . . . 0.675 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 53.4 t80 -73.48 -54.32 8.53 Favored 'General case' 0 N--CA 1.439 -1.024 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.621 179.317 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.502 ' HG ' ' HG3' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -57.26 -37.66 72.69 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.07 179.211 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 C--N 1.321 -0.674 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.477 -178.993 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt . . . . . 0 N--CA 1.481 1.087 0 N-CA-C 111.358 0.132 . . . . 0.0 111.358 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.5 pt20 -69.69 123.24 20.86 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 176.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -107.12 153.68 22.28 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.601 0.715 . . . . 0.0 112.046 -167.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -142.54 168.69 19.14 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.035 173.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.42 HG22 ' CD1' ' B' ' 19' ' ' TYR . 2.2 t -108.97 162.17 6.9 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 178.445 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.557 ' O ' ' HA2' ' B' ' 17' ' ' GLY . 2.6 t80 -150.77 124.03 8.88 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.066 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.545 ' HA2' ' O ' ' B' ' 16' ' ' PHE . . . -129.81 96.02 0.37 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 121.066 -0.587 . . . . 0.0 111.745 -179.507 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.724 HD12 HG23 ' B' ' 40' ' ' THR . 35.5 pt -125.12 166.81 20.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.979 0.419 . . . . 0.0 112.054 -174.48 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.44 ' CD1' HG22 ' B' ' 15' ' ' VAL . 62.2 m-85 -107.63 94.32 5.02 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.073 176.282 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 23.0 ptm -106.4 161.5 14.52 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.933 -178.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.08 155.85 19.41 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.071 0.462 . . . . 0.0 111.332 -178.074 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -76.77 -63.62 1.31 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.478 -175.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -50.05 -39.13 41.01 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 123.811 0.694 . . . . 0.0 111.922 -175.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.701 HD23 ' HE3' ' B' ' 48' ' ' LYS . 0.5 OUTLIER -70.21 -54.98 10.47 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.715 -179.746 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.433 ' N ' HD13 ' A' ' 24' ' ' LEU . 3.4 ttpm? -62.02 -32.84 73.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.714 0.769 . . . . 0.0 109.845 179.297 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.489 ' O ' HG23 ' A' ' 30' ' ' VAL . 18.4 m -77.81 -33.93 52.27 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.63 -1.168 . . . . 0.0 110.922 -176.181 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.631 ' HG3' ' HG ' ' B' ' 51' ' ' LEU . 12.3 tpp180 -56.42 -50.06 72.75 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.338 0.59 . . . . 0.0 109.432 171.519 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.759 ' HG ' HD11 ' B' ' 47' ' ' ILE . 3.3 tm? -62.28 -36.06 80.91 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.685 176.221 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.429 ' C ' ' HD3' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -58.38 -39.87 80.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.198 0.523 . . . . 0.0 110.033 175.643 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 26' ' ' THR . 96.0 t -71.14 -31.73 45.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.641 177.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.468 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 84.4 t80 -63.79 -38.57 91.59 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.547 173.503 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.478 ' SG ' ' HA ' ' A' ' 39' ' ' LEU . 76.8 m -73.34 -24.13 60.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.806 178.16 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.23 -36.77 39.47 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.28 0.562 . . . . 0.0 110.051 176.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -72.38 -44.28 62.76 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.431 -178.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.493 ' HB3' HD13 ' A' ' 37' ' ' LEU . 41.5 m-80 -94.46 1.68 55.76 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.792 0.329 . . . . 0.0 110.518 -179.602 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.3 m120 56.02 24.43 7.76 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.318 -174.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.493 HD13 ' HB3' ' A' ' 35' ' ' ASN . 1.8 mp -72.25 167.23 20.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.466 178.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -87.73 135.72 33.26 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.327 172.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.478 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 0.2 OUTLIER -45.53 -52.04 10.98 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 123.588 0.555 . . . . 0.0 110.864 177.612 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.732 HG23 HD12 ' B' ' 18' ' ' ILE . 3.9 m -59.41 -49.54 77.4 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.521 -179.227 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.458 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 32.9 tt0 -55.44 -38.05 68.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.66 -179.215 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.752 ' HB3' HD11 ' A' ' 28' ' ' LEU . . . -69.95 -44.37 69.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.17 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.5 mp -57.72 -46.13 86.8 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.161 0 CA-C-O 120.997 0.427 . . . . 0.0 110.318 175.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.465 ' HA ' HG22 ' A' ' 47' ' ' ILE . 48.0 mt-10 -62.93 -43.47 98.7 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.81 -178.293 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 41' ' ' GLN . 31.5 mm-40 -63.45 -39.02 93.35 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 175.035 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.812 ' HB1' ' HA ' ' B' ' 47' ' ' ILE . . . -62.69 -54.68 35.66 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.653 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.819 ' HA ' ' HB1' ' B' ' 46' ' ' ALA . 6.3 tt -70.57 -26.12 27.98 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.112 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.856 -176.087 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.664 ' HE3' HD23 ' B' ' 24' ' ' LEU . 1.4 tpmt? -68.95 -55.94 9.39 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.496 177.386 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -70.91 -9.78 58.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.717 -177.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.582 ' CD1' ' HA ' ' B' ' 46' ' ' ALA . 58.8 t80 -80.3 -46.49 16.07 Favored 'General case' 0 N--CA 1.438 -1.049 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.233 178.459 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.644 ' HG ' ' HG3' ' B' ' 27' ' ' ARG . 0.1 OUTLIER -61.22 -40.44 94.0 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.584 177.65 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -76.24 -28.57 57.2 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.084 -177.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.405 ' HD3' ' HD3' ' B' ' 53' ' ' LYS . 26.9 ttpp -77.46 -16.13 58.94 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.374 0.606 . . . . 0.0 110.027 177.002 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.412 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 1.8 tpt180 -106.8 -72.81 0.71 Allowed 'General case' 0 N--CA 1.438 -1.043 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.453 -175.28 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.5 p30 178.9 -61.35 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.52 -175.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.861 -0.966 . . . . 0.0 112.102 -177.105 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt . . . . . 0 N--CA 1.479 0.987 0 CA-C-O 120.295 0.093 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 28.1 pt20 -70.19 123.0 20.55 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 176.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -107.05 153.56 22.43 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.299 0.571 . . . . 0.0 111.946 -167.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -142.36 168.94 18.54 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 114.88 -1.055 . . . . 0.0 108.932 173.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.44 HG22 ' CD1' ' A' ' 19' ' ' TYR . 2.3 t -109.45 161.87 7.52 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 178.636 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.545 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 2.7 t80 -150.6 124.28 9.13 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.028 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' GLY . . . . . 0.557 ' HA2' ' O ' ' A' ' 16' ' ' PHE . . . -130.0 95.81 0.36 Allowed Glycine 0 N--CA 1.45 -0.37 0 N-CA-C 111.649 -0.58 . . . . 0.0 111.649 -179.481 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.732 HD12 HG23 ' A' ' 40' ' ' THR . 36.0 pt -124.94 166.46 20.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.906 0.384 . . . . 0.0 111.971 -174.483 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' TYR . . . . . 0.42 ' CD1' HG22 ' A' ' 15' ' ' VAL . 62.0 m-85 -107.32 94.45 5.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.792 176.334 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 23.2 ptm -106.44 161.41 14.62 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.86 -178.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.97 156.14 18.35 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.256 0.55 . . . . 0.0 111.482 -178.042 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -77.17 -63.46 1.36 Allowed 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.499 -175.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -49.89 -39.74 40.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 123.924 0.765 . . . . 0.0 111.823 -175.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' LEU . . . . . 0.667 HD21 HG23 ' A' ' 47' ' ' ILE . 0.6 OUTLIER -69.62 -55.41 10.13 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.763 -179.821 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.441 ' N ' HD13 ' B' ' 24' ' ' LEU . 3.4 ttpm? -61.9 -32.69 73.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.832 0.825 . . . . 0.0 109.821 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' THR . . . . . 0.487 ' O ' HG23 ' B' ' 30' ' ' VAL . 19.0 m -78.06 -33.84 50.71 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.674 -1.148 . . . . 0.0 111.094 -176.359 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.644 ' HG3' ' HG ' ' A' ' 51' ' ' LEU . 12.3 tpp180 -56.29 -49.88 73.01 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 171.386 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.752 HD11 ' HB3' ' B' ' 42' ' ' ALA . 3.3 tm? -62.47 -36.13 81.5 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.615 176.369 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.435 ' C ' ' HD3' ' B' ' 29' ' ' LYS . 0.8 OUTLIER -58.24 -40.08 80.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.304 0.573 . . . . 0.0 110.02 175.693 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.487 HG23 ' O ' ' B' ' 26' ' ' THR . 95.0 t -71.06 -31.48 45.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.536 0.684 . . . . 0.0 110.769 177.549 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' TYR . . . . . 0.466 ' HB3' ' O ' ' B' ' 28' ' ' LEU . 84.6 t80 -64.13 -38.4 90.92 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.586 173.539 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' CYS . . . . . 0.49 ' SG ' ' HA ' ' B' ' 39' ' ' LEU . 77.0 m -73.17 -24.27 60.53 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.84 177.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.24 -36.8 39.39 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.536 0.684 . . . . 0.0 109.875 177.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -72.45 -44.13 62.8 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.495 -178.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ASN . . . . . 0.49 ' HB3' HD13 ' B' ' 37' ' ' LEU . 41.2 m-80 -94.54 1.44 55.67 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.5 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 8.1 m120 56.04 25.02 8.38 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.18 -174.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.49 HD13 ' HB3' ' B' ' 35' ' ' ASN . 1.7 mp -72.86 167.04 21.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.425 178.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -87.75 135.45 33.37 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.128 172.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.49 ' HA ' ' SG ' ' B' ' 32' ' ' CYS . 0.2 OUTLIER -45.09 -52.1 9.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 123.632 0.582 . . . . 0.0 111.13 177.214 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 40' ' ' THR . . . . . 0.724 HG23 HD12 ' A' ' 18' ' ' ILE . 4.1 m -59.33 -49.59 77.22 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.289 -179.139 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.466 ' O ' ' HG2' ' B' ' 45' ' ' GLU . 32.9 tt0 -55.72 -37.75 68.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.727 -178.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.752 ' HB3' HD11 ' B' ' 28' ' ' LEU . . . -70.12 -44.05 69.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.242 179.536 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 1.5 mp -57.84 -46.49 87.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.968 0.413 . . . . 0.0 110.277 175.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.46 ' HA ' HG22 ' B' ' 47' ' ' ILE . 47.8 mt-10 -62.46 -43.59 98.45 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.951 -178.506 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' B' ' 41' ' ' GLN . 30.3 mm-40 -63.4 -39.15 93.73 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 174.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.819 ' HB1' ' HA ' ' A' ' 47' ' ' ILE . . . -62.67 -54.76 34.47 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.665 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.812 ' HA ' ' HB1' ' A' ' 46' ' ' ALA . 6.3 tt -70.3 -26.0 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.099 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.889 -176.169 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.701 ' HE3' HD23 ' A' ' 24' ' ' LEU . 1.4 tpmt? -69.2 -55.72 9.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.962 0.41 . . . . 0.0 110.503 177.471 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -71.01 -9.92 58.86 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.61 -177.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' TYR . . . . . 0.572 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 59.2 t80 -80.11 -46.54 16.28 Favored 'General case' 0 N--CA 1.439 -1.014 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.326 178.452 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.631 ' HG ' ' HG3' ' A' ' 27' ' ' ARG . 0.1 OUTLIER -61.25 -40.4 93.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.511 177.661 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -75.97 -28.97 58.08 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.516 -0.473 . . . . 0.0 111.182 -177.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.405 ' HD3' ' HD3' ' A' ' 53' ' ' LYS . 26.9 ttpp -77.15 -16.44 59.14 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.384 0.611 . . . . 0.0 109.946 177.348 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.408 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 1.8 tpt180 -106.52 -73.45 0.69 Allowed 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.292 -175.11 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 4.8 p30 179.34 -61.4 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.544 -175.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.832 0 CA-C-O 118.931 -0.927 . . . . 0.0 111.847 -177.064 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? . . . . . 0 N--CA 1.479 0.997 0 CA-C-O 121.102 0.477 . . . . 0.0 110.719 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.536 ' O ' ' HA ' ' B' ' 21' ' ' ASP . 3.8 pt20 -82.72 118.37 23.32 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 169.56 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -111.5 149.02 31.94 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-O 121.892 0.853 . . . . 0.0 112.905 -161.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -139.88 166.34 24.9 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.159 -1.382 . . . . 0.0 108.749 171.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.403 HG22 ' CD1' ' B' ' 19' ' ' TYR . 2.4 t -104.78 161.24 4.88 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.979 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.567 ' O ' ' HA2' ' B' ' 17' ' ' GLY . 3.3 t80 -150.98 122.01 7.67 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.63 -179.65 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.559 ' HA2' ' O ' ' B' ' 16' ' ' PHE . . . -130.36 94.53 0.33 Allowed Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 111.631 -0.587 . . . . 0.0 111.631 -178.139 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.709 HD12 HG23 ' B' ' 40' ' ' THR . 43.0 pt -124.26 172.5 11.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.956 0.408 . . . . 0.0 111.618 -173.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.422 ' CD1' HG22 ' B' ' 15' ' ' VAL . 68.4 m-85 -115.95 98.55 6.71 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.975 178.096 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.432 ' HB2' ' HG2' ' B' ' 44' ' ' GLU . 21.6 ptm -110.2 163.88 13.19 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.354 -175.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.544 ' HA ' ' O ' ' B' ' 12' ' ' GLN . 2.7 m-20 -62.94 155.49 27.16 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.075 0.464 . . . . 0.0 111.647 -178.022 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -75.15 -66.21 0.79 Allowed 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.52 -178.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -48.32 -31.77 6.49 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 123.648 0.592 . . . . 0.0 112.135 -175.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.666 HD21 HG23 ' B' ' 47' ' ' ILE . 0.6 OUTLIER -78.56 -55.37 5.25 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.767 -179.67 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -62.19 -33.38 74.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.81 0.814 . . . . 0.0 109.805 178.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.494 ' O ' HG23 ' A' ' 30' ' ' VAL . 54.6 m -77.4 -33.47 55.04 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.625 -1.17 . . . . 0.0 110.361 -176.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.727 ' HG3' ' HG ' ' B' ' 51' ' ' LEU . 17.8 tpp180 -54.08 -53.25 55.77 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.767 0.794 . . . . 0.0 109.38 171.206 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.719 ' HG ' HD11 ' B' ' 47' ' ' ILE . 3.2 tm? -61.7 -36.98 82.47 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.665 -1.152 . . . . 0.0 111.425 175.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.438 ' C ' ' HD3' ' A' ' 29' ' ' LYS . 13.1 tmtt? -55.64 -43.36 76.16 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.092 0.472 . . . . 0.0 110.268 176.168 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 26' ' ' THR . 91.2 t -67.0 -33.32 62.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.598 178.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.448 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 91.3 t80 -64.45 -38.73 92.04 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.763 175.443 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.434 ' SG ' ' HA ' ' A' ' 39' ' ' LEU . 77.3 m -75.1 -26.32 59.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.28 179.076 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.88 -37.3 40.54 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.284 0.564 . . . . 0.0 110.277 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -78.25 -38.4 42.97 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.632 -176.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.501 ' HB3' HD13 ' A' ' 37' ' ' LEU . 44.0 m-80 -94.63 0.4 55.11 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.863 0.363 . . . . 0.0 110.494 178.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.1 m120 58.2 23.27 10.08 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.765 -174.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.501 HD13 ' HB3' ' A' ' 35' ' ' ASN . 1.9 mp -73.11 165.7 24.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.195 179.222 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -89.13 133.08 34.53 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.311 175.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.495 HD12 ' CZ ' ' B' ' 16' ' ' PHE . 0.1 OUTLIER -47.65 -51.52 21.23 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 123.578 0.549 . . . . 0.0 110.798 177.733 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.726 HG23 HD12 ' B' ' 18' ' ' ILE . 14.5 m -61.65 -48.61 80.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.292 -179.186 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -54.28 -40.93 68.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.64 178.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.71 ' HB3' HD11 ' A' ' 28' ' ' LEU . . . -66.48 -44.66 82.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.954 -179.231 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.486 HG21 HD11 ' B' ' 18' ' ' ILE . 1.5 mp -58.74 -46.56 90.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.902 0.382 . . . . 0.0 110.602 175.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.455 ' HG2' ' HB2' ' B' ' 20' ' ' MET . 45.7 mt-10 -62.26 -44.27 96.92 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.771 -179.079 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -64.41 -38.38 90.84 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.112 0.482 . . . . 0.0 109.807 175.04 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.784 ' HB1' ' HA ' ' B' ' 47' ' ' ILE . . . -61.86 -54.42 42.26 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.801 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.799 ' HA ' ' HB1' ' B' ' 46' ' ' ALA . 8.2 tt -70.77 -24.51 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.199 0 CA-C-N 115.054 -0.975 . . . . 0.0 110.608 -176.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.687 ' HE3' HD23 ' B' ' 24' ' ' LEU . 2.3 tpmt? -68.28 -59.89 2.86 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.572 176.618 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.628 ' HB3' ' HE2' ' B' ' 53' ' ' LYS . 1.1 mp0 -63.69 -17.11 62.63 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.045 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.631 ' CD1' ' HA ' ' B' ' 46' ' ' ALA . 56.8 t80 -74.18 -46.92 39.09 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.321 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.721 ' HG ' ' HG3' ' B' ' 27' ' ' ARG . 0.2 OUTLIER -62.83 -39.09 93.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.716 176.292 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -75.26 -29.42 60.18 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.755 0.312 . . . . 0.0 111.447 -177.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.648 ' HE2' ' HB3' ' B' ' 49' ' ' GLU . 25.2 ttpp -79.7 -19.8 48.05 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.22 0.533 . . . . 0.0 110.131 177.381 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 2.1 tpt180 -100.31 -70.57 0.73 Allowed 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.647 -175.321 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.9 p30 179.12 -58.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.899 -178.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.184 0 CA-C-O 118.539 -1.145 . . . . 0.0 111.902 -178.954 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? . . . . . 0 N--CA 1.48 1.028 0 CA-C-O 121.118 0.485 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 12' ' ' GLN . . . . . 0.544 ' O ' ' HA ' ' A' ' 21' ' ' ASP . 3.8 pt20 -82.44 118.55 23.3 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 169.614 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -111.82 148.65 33.12 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 121.882 0.849 . . . . 0.0 112.839 -161.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -139.61 165.73 26.48 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.255 -1.339 . . . . 0.0 108.801 171.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.422 HG22 ' CD1' ' A' ' 19' ' ' TYR . 2.4 t -104.11 161.59 4.52 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.559 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 3.3 t80 -151.26 122.28 7.66 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' GLY . . . . . 0.567 ' HA2' ' O ' ' A' ' 16' ' ' PHE . . . -130.62 95.04 0.32 Allowed Glycine 0 N--CA 1.451 -0.358 0 N-CA-C 111.534 -0.626 . . . . 0.0 111.534 -178.561 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.726 HD12 HG23 ' A' ' 40' ' ' THR . 43.1 pt -124.34 172.87 11.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.81 0.338 . . . . 0.0 111.666 -174.038 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' TYR . . . . . 0.403 ' CD1' HG22 ' A' ' 15' ' ' VAL . 68.2 m-85 -116.37 98.04 6.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.079 178.279 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' MET . . . . . 0.455 ' HB2' ' HG2' ' A' ' 44' ' ' GLU . 21.5 ptm -109.63 164.08 12.87 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.38 -175.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.536 ' HA ' ' O ' ' A' ' 12' ' ' GLN . 2.8 m-20 -62.85 155.54 26.71 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.015 0.436 . . . . 0.0 111.721 -178.326 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -75.33 -66.51 0.76 Allowed 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.416 -178.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -48.19 -31.24 5.49 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 123.649 0.593 . . . . 0.0 112.241 -175.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' LEU . . . . . 0.687 HD23 ' HE3' ' A' ' 48' ' ' LYS . 0.6 OUTLIER -79.13 -55.54 5.03 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.732 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -61.8 -33.83 74.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.74 0.781 . . . . 0.0 109.69 178.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' THR . . . . . 0.489 ' O ' HG23 ' B' ' 30' ' ' VAL . 53.6 m -76.92 -33.37 57.74 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.632 -1.167 . . . . 0.0 110.419 -176.763 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.721 ' HG3' ' HG ' ' A' ' 51' ' ' LEU . 17.4 tpp180 -54.31 -53.17 57.42 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.731 0.777 . . . . 0.0 109.214 171.562 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.715 ' HG ' HD11 ' A' ' 47' ' ' ILE . 3.2 tm? -61.72 -36.97 82.49 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.631 -1.168 . . . . 0.0 111.395 175.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.451 ' C ' ' HD3' ' B' ' 29' ' ' LYS . 13.1 tmtt? -55.67 -43.28 76.18 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.141 0.496 . . . . 0.0 110.288 176.063 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.489 HG23 ' O ' ' B' ' 26' ' ' THR . 89.5 t -66.94 -33.27 62.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.75 178.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' TYR . . . . . 0.455 ' HB3' ' O ' ' B' ' 28' ' ' LEU . 91.2 t80 -64.52 -38.98 92.88 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.629 175.518 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' CYS . . . . . 0.436 ' SG ' ' HA ' ' B' ' 39' ' ' LEU . 77.6 m -75.18 -26.05 58.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.315 179.205 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.07 -37.52 38.67 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.383 0.611 . . . . 0.0 110.194 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -77.82 -38.46 46.28 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.597 -176.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ASN . . . . . 0.484 ' HB3' HD13 ' B' ' 37' ' ' LEU . 44.2 m-80 -94.62 0.42 55.12 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.43 178.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 16.5 m120 58.23 23.13 9.97 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.893 -174.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.484 HD13 ' HB3' ' B' ' 35' ' ' ASN . 1.9 mp -72.98 165.64 24.6 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.258 179.181 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -89.32 132.66 34.83 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.337 176.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.496 HD12 ' CZ ' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -47.34 -51.51 19.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 123.598 0.561 . . . . 0.0 110.743 177.895 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 40' ' ' THR . . . . . 0.709 HG23 HD12 ' A' ' 18' ' ' ILE . 11.6 m -61.59 -48.82 79.19 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.286 -179.08 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -54.25 -40.76 68.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.461 178.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.705 ' HB3' HD11 ' B' ' 28' ' ' LEU . . . -66.58 -44.69 81.55 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.985 -179.319 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.489 HG21 HD11 ' A' ' 18' ' ' ILE . 1.5 mp -58.8 -46.61 90.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.83 0.348 . . . . 0.0 110.459 175.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.432 ' HG2' ' HB2' ' A' ' 20' ' ' MET . 45.2 mt-10 -62.23 -43.81 97.98 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.896 -179.034 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -64.73 -38.45 91.03 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.16 0.505 . . . . 0.0 109.794 174.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.799 ' HB1' ' HA ' ' A' ' 47' ' ' ILE . . . -61.81 -54.43 42.36 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.857 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.784 ' HA ' ' HB1' ' A' ' 46' ' ' ALA . 8.2 tt -70.75 -24.27 24.82 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.216 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.626 -176.748 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.659 ' HE3' HD23 ' A' ' 24' ' ' LEU . 2.3 tpmt? -68.54 -59.74 2.92 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.524 176.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.648 ' HB3' ' HE2' ' A' ' 53' ' ' LYS . 1.0 OUTLIER -63.91 -16.89 62.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.948 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 50' ' ' TYR . . . . . 0.62 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 56.5 t80 -74.39 -46.82 37.86 Favored 'General case' 0 N--CA 1.438 -1.04 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.305 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.727 ' HG ' ' HG3' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -62.77 -39.17 93.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.706 176.365 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -75.59 -28.9 59.1 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.616 -177.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.628 ' HE2' ' HB3' ' A' ' 49' ' ' GLU . 25.1 ttpp -79.92 -19.81 47.21 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.319 0.58 . . . . 0.0 110.145 176.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 2.1 tpt180 -100.23 -70.71 0.73 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.797 -175.317 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 5.5 p30 179.44 -58.15 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.849 -178.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.5 -1.167 . . . . 0.0 111.951 -179.003 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.0 pttm . . . . . 0 N--CA 1.479 0.988 0 CA-C-O 120.564 0.221 . . . . 0.0 111.294 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.497 ' O ' ' HA ' ' B' ' 21' ' ' ASP . 10.6 mt-30 -92.37 146.14 23.92 Favored 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 171.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.2 pptp? -121.31 133.52 55.13 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-O 121.751 0.786 . . . . 0.0 111.63 -172.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.442 ' O ' ' HA ' ' B' ' 19' ' ' TYR . . . -121.08 172.16 8.15 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.48 -1.236 . . . . 0.0 108.834 177.645 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.434 HG22 ' CD1' ' B' ' 19' ' ' TYR . 2.1 t -110.81 158.87 11.1 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.575 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.534 ' O ' ' HA2' ' B' ' 17' ' ' GLY . 3.3 t80 -151.38 118.48 5.9 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 -178.211 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.553 ' HA2' ' O ' ' B' ' 16' ' ' PHE . . . -125.54 96.56 0.5 Allowed Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 111.463 -0.655 . . . . 0.0 111.463 -178.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.744 HD12 HG23 ' B' ' 40' ' ' THR . 35.9 pt -123.72 166.78 18.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.967 0.413 . . . . 0.0 111.875 -174.328 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.441 ' HA ' ' O ' ' B' ' 14' ' ' ALA . 66.6 m-85 -106.61 95.67 5.91 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.072 175.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.536 ' HB2' ' HG2' ' B' ' 44' ' ' GLU . 23.8 ptm -107.54 159.91 16.07 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.001 -178.549 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.503 ' HA ' ' O ' ' B' ' 12' ' ' GLN . 0.8 OUTLIER -57.73 155.62 9.83 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.204 0.526 . . . . 0.0 111.207 -179.765 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -79.93 -61.27 2.04 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.886 -177.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -46.84 -37.73 9.18 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.112 0.882 . . . . 0.0 112.0 -176.272 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.699 HD11 ' CG2' ' B' ' 47' ' ' ILE . 0.5 OUTLIER -76.82 -53.18 8.25 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.852 -178.503 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.438 ' HD2' ' CD1' ' B' ' 16' ' ' PHE . 3.5 ttpm? -60.29 -33.19 72.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.669 0.747 . . . . 0.0 109.586 177.358 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.518 ' O ' HG23 ' A' ' 30' ' ' VAL . 32.3 m -75.5 -34.68 60.86 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.634 -1.167 . . . . 0.0 110.705 -178.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.629 ' HG3' ' HG ' ' B' ' 51' ' ' LEU . 15.6 tpp180 -56.65 -50.59 71.61 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.425 0.631 . . . . 0.0 109.765 172.225 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.751 HD11 ' HB3' ' A' ' 42' ' ' ALA . 3.2 tm? -62.46 -34.65 77.24 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.87 175.644 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.459 ' C ' ' HD3' ' A' ' 29' ' ' LYS . 1.1 tmtp? -57.77 -40.48 79.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.188 0.518 . . . . 0.0 109.96 175.572 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 26' ' ' THR . 96.6 t -67.31 -33.44 62.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.611 0.72 . . . . 0.0 110.731 177.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.444 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 78.3 t80 -65.52 -39.05 91.35 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.846 175.762 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.514 ' SG ' ' HA ' ' A' ' 39' ' ' LEU . 76.9 m -74.4 -22.9 58.94 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.916 179.446 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.32 -37.94 27.55 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.339 0.59 . . . . 0.0 110.176 176.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.434 ' HZ2' ' HB2' ' A' ' 34' ' ' LYS . 4.4 ttmp? -71.01 -43.45 67.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.25 -178.257 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.636 ' HB3' HD13 ' A' ' 37' ' ' LEU . 34.6 m-80 -94.74 0.65 55.15 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.315 -179.111 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 55.88 25.05 8.13 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.335 -173.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.636 HD13 ' HB3' ' A' ' 35' ' ' ASN . 2.3 mp -74.62 166.34 23.73 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.301 0.572 . . . . 0.0 111.515 179.528 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -84.57 134.63 34.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.611 174.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.514 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 0.1 OUTLIER -48.37 -50.28 31.24 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 123.605 0.566 . . . . 0.0 110.809 177.94 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.76 HG23 HD12 ' B' ' 18' ' ' ILE . 11.4 m -63.16 -48.66 77.47 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.342 -178.553 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.403 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 29.8 tt0 -53.56 -40.71 65.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.198 179.037 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.751 ' HB3' HD11 ' A' ' 28' ' ' LEU . . . -66.27 -45.88 78.97 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.125 -179.388 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.5 ' O ' HG22 ' A' ' 47' ' ' ILE . 1.5 mp -57.03 -47.03 84.26 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.204 0 CA-C-O 120.796 0.331 . . . . 0.0 110.557 176.457 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.522 ' HG2' ' HB2' ' B' ' 20' ' ' MET . 43.6 mt-10 -62.1 -44.87 95.72 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.097 -177.21 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 41' ' ' GLN . 7.1 mm-40 -68.33 -30.93 70.01 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 176.603 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.796 ' HB1' ' HA ' ' B' ' 47' ' ' ILE . . . -65.19 -56.87 10.39 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.523 177.425 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.806 ' HA ' ' HB1' ' B' ' 46' ' ' ALA . 17.2 tt -65.31 -29.68 47.95 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.148 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.956 -177.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.494 ' HE3' HD23 ' B' ' 24' ' ' LEU . 4.4 tppp? -66.51 -57.61 6.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.056 177.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -69.12 -11.0 60.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.763 -178.161 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.657 ' CD1' ' HA ' ' B' ' 46' ' ' ALA . 67.0 t80 -76.74 -46.26 26.01 Favored 'General case' 0 N--CA 1.439 -0.981 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.277 176.779 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.616 ' HG ' ' HG3' ' B' ' 27' ' ' ARG . 0.2 OUTLIER -61.77 -38.38 87.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.251 176.704 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.64 -28.18 58.69 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.797 -178.138 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -76.78 -19.43 57.6 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.181 176.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.415 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 0.3 OUTLIER -108.22 -71.88 0.74 Allowed 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 115.509 -0.768 . . . . 0.0 111.047 -171.935 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.8 p30 178.23 -62.21 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.277 0.631 . . . . 0.0 110.767 -177.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.919 0 CA-C-O 118.434 -1.203 . . . . 0.0 112.57 -179.641 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 26.1 pttm . . . . . 0 N--CA 1.479 1.02 0 CA-C-O 120.514 0.197 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 12' ' ' GLN . . . . . 0.503 ' O ' ' HA ' ' A' ' 21' ' ' ASP . 10.8 mt-30 -92.23 146.29 23.82 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 172.219 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 3.2 pptp? -121.89 132.9 54.81 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-O 121.681 0.753 . . . . 0.0 111.634 -172.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.441 ' O ' ' HA ' ' A' ' 19' ' ' TYR . . . -120.6 172.36 7.91 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 114.681 -1.145 . . . . 0.0 108.783 177.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.439 HG22 ' CD1' ' A' ' 19' ' ' TYR . 2.0 t -110.63 159.04 10.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 178.435 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.553 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 3.5 t80 -151.35 118.47 5.91 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -178.38 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' GLY . . . . . 0.534 ' HA2' ' O ' ' A' ' 16' ' ' PHE . . . -125.19 96.77 0.51 Allowed Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 111.517 -0.633 . . . . 0.0 111.517 -179.168 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.76 HD12 HG23 ' A' ' 40' ' ' THR . 37.1 pt -123.85 166.22 19.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.99 0.424 . . . . 0.0 111.944 -174.422 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' TYR . . . . . 0.442 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 66.2 m-85 -106.35 95.46 5.78 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.949 175.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' MET . . . . . 0.522 ' HB2' ' HG2' ' A' ' 44' ' ' GLU . 24.0 ptm -107.4 160.12 15.88 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.918 -178.499 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.497 ' HA ' ' O ' ' A' ' 12' ' ' GLN . 0.8 OUTLIER -58.13 155.72 10.74 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 121.214 0.53 . . . . 0.0 111.24 -179.683 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -79.92 -61.53 1.96 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.876 -177.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -46.58 -37.56 8.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.105 0.878 . . . . 0.0 112.03 -176.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' LEU . . . . . 0.673 HD11 ' CG2' ' A' ' 47' ' ' ILE . 0.5 OUTLIER -76.84 -53.57 7.73 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.87 -178.643 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.436 ' HD2' ' CD1' ' A' ' 16' ' ' PHE . 3.5 ttpm? -59.99 -33.26 71.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.861 0.838 . . . . 0.0 109.698 177.386 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' THR . . . . . 0.497 ' O ' HG23 ' B' ' 30' ' ' VAL . 41.9 m -75.28 -34.73 61.36 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.435 -1.257 . . . . 0.0 110.829 -178.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.616 ' HG3' ' HG ' ' A' ' 51' ' ' LEU . 15.5 tpp180 -56.8 -50.42 72.4 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.396 0.617 . . . . 0.0 109.783 172.393 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.748 HD11 ' HB3' ' B' ' 42' ' ' ALA . 3.2 tm? -62.37 -34.78 77.36 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.947 175.425 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.455 ' C ' ' HD3' ' B' ' 29' ' ' LYS . 1.1 tmtp? -57.83 -40.59 80.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.175 0.512 . . . . 0.0 109.916 175.692 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.497 HG23 ' O ' ' B' ' 26' ' ' THR . 95.8 t -67.04 -33.77 65.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.724 0.773 . . . . 0.0 110.761 177.637 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' TYR . . . . . 0.448 ' HB3' ' O ' ' B' ' 28' ' ' LEU . 78.2 t80 -65.44 -38.96 91.4 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.862 175.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' CYS . . . . . 0.522 ' SG ' ' HA ' ' B' ' 39' ' ' LEU . 76.9 m -74.43 -22.99 58.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.954 179.221 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.1 -38.66 26.91 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.27 0.557 . . . . 0.0 110.118 176.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.437 ' HB2' ' HZ2' ' B' ' 34' ' ' LYS . 4.4 ttmp? -70.22 -43.45 70.61 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.302 -178.236 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ASN . . . . . 0.639 ' HB3' HD13 ' B' ' 37' ' ' LEU . 33.8 m-80 -94.8 0.69 55.1 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.287 -178.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 55.9 25.28 8.42 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.185 -173.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.639 HD13 ' HB3' ' B' ' 35' ' ' ASN . 2.4 mp -74.8 166.07 24.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.52 179.431 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -84.16 134.71 34.56 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.611 174.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.522 ' HA ' ' SG ' ' B' ' 32' ' ' CYS . 0.1 OUTLIER -48.54 -50.63 31.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 123.559 0.537 . . . . 0.0 110.743 177.814 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 40' ' ' THR . . . . . 0.744 HG23 HD12 ' A' ' 18' ' ' ILE . 12.9 m -62.66 -48.73 78.06 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.412 -178.611 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.411 ' O ' ' HG2' ' B' ' 45' ' ' GLU . 30.3 tt0 -53.41 -40.77 65.35 Favored 'General case' 0 N--CA 1.456 -0.13 0 O-C-N 123.444 0.465 . . . . 0.0 110.437 178.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.748 ' HB3' HD11 ' B' ' 28' ' ' LEU . . . -66.03 -46.11 79.07 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.084 -179.599 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.514 ' O ' HG22 ' B' ' 47' ' ' ILE . 1.5 mp -56.99 -47.07 84.05 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.182 0 O-C-N 123.114 0.259 . . . . 0.0 110.555 176.645 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.536 ' HG2' ' HB2' ' A' ' 20' ' ' MET . 43.3 mt-10 -62.01 -44.83 95.88 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.239 -177.482 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' B' ' 41' ' ' GLN . 7.1 mm-40 -68.4 -30.92 69.95 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 176.39 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.806 ' HB1' ' HA ' ' A' ' 47' ' ' ILE . . . -65.1 -56.88 10.43 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 121.432 0.634 . . . . 0.0 110.553 177.23 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.796 ' HA ' ' HB1' ' A' ' 46' ' ' ALA . 17.4 tt -65.31 -29.53 47.5 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.139 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.186 -178.084 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.503 ' HE3' HD23 ' A' ' 24' ' ' LEU . 4.4 tppp? -66.71 -57.47 7.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.034 177.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -69.35 -10.84 59.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.665 -178.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' TYR . . . . . 0.655 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 66.9 t80 -76.7 -46.31 26.06 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.284 176.654 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.629 ' HG ' ' HG3' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -61.78 -38.49 88.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.14 176.871 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.21 -28.78 60.11 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.173 0.511 . . . . 0.0 110.738 -178.266 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -76.4 -19.46 58.1 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.38 176.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.411 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 0.3 OUTLIER -108.01 -72.34 0.73 Allowed 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.834 -171.926 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 4.7 p30 178.48 -61.84 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.293 0.637 . . . . 0.0 110.987 -177.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.08 0 CA-C-O 118.593 -1.115 . . . . 0.0 112.579 179.98 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.8 tptt . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 121.457 0.646 . . . . 0.0 110.014 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.688 ' HG3' ' HB3' ' B' ' 22' ' ' LYS . 27.9 pt20 -85.76 133.2 34.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.752 178.587 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.9 pttt -108.22 155.32 20.6 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.274 0.559 . . . . 0.0 111.556 -174.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -139.55 168.54 19.58 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.401 178.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.473 HG22 ' CD1' ' B' ' 19' ' ' TYR . 2.1 t -108.36 160.89 7.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 179.15 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.536 ' O ' ' HA2' ' B' ' 17' ' ' GLY . 1.4 t80 -149.39 124.47 10.06 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -179.115 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.522 ' HA2' ' O ' ' B' ' 16' ' ' PHE . . . -128.67 93.52 0.35 Allowed Glycine 0 N--CA 1.449 -0.49 0 N-CA-C 111.329 -0.708 . . . . 0.0 111.329 179.47 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.79 HD12 HG23 ' B' ' 40' ' ' THR . 43.6 pt -123.75 165.83 19.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.969 0.414 . . . . 0.0 111.74 -174.21 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.465 ' CD1' HG22 ' B' ' 15' ' ' VAL . 74.2 m-85 -108.89 93.29 4.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.888 175.131 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.503 ' HB2' ' HG2' ' B' ' 44' ' ' GLU . 24.3 ptm -105.27 157.49 17.27 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.813 -177.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.98 150.09 14.16 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 121.479 0.657 . . . . 0.0 111.185 -179.233 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.737 ' HB3' ' HG3' ' B' ' 12' ' ' GLN . 3.6 ttmp? -78.88 -59.67 2.69 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.992 -174.318 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -48.89 -36.12 16.39 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 123.93 0.769 . . . . 0.0 111.911 -177.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.686 HD11 HG23 ' B' ' 47' ' ' ILE . 0.2 OUTLIER -72.93 -57.88 3.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.449 178.634 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.464 ' HD2' ' CD1' ' B' ' 16' ' ' PHE . 3.0 ttpm? -58.31 -33.94 70.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.661 0.743 . . . . 0.0 109.959 178.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.537 ' O ' HG23 ' A' ' 30' ' ' VAL . 45.9 m -77.38 -30.83 53.89 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.722 -177.426 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.6 ' HG3' ' HG ' ' B' ' 51' ' ' LEU . 18.4 tpp180 -58.72 -54.01 51.91 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.595 0.712 . . . . 0.0 109.307 172.001 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.75 HD11 ' HB3' ' A' ' 42' ' ' ALA . 3.1 tm? -58.3 -36.34 73.2 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 114.842 -1.072 . . . . 0.0 111.378 174.019 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.445 ' C ' ' HD3' ' A' ' 29' ' ' LYS . 1.3 tmtp? -56.8 -42.68 79.93 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.092 0.472 . . . . 0.0 110.018 176.306 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 26' ' ' THR . 74.5 t -66.4 -33.54 64.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.389 0.614 . . . . 0.0 110.517 177.349 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.459 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 88.4 t80 -64.58 -37.55 87.93 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.333 -0.848 . . . . 0.0 109.59 175.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.497 ' SG ' ' HA ' ' A' ' 39' ' ' LEU . 81.3 m -74.88 -24.74 58.6 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.035 177.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.23 -33.57 32.76 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.171 0.51 . . . . 0.0 110.299 178.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -75.24 -43.58 50.85 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.42 -179.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.619 ' HB3' HD13 ' A' ' 37' ' ' LEU . 43.1 m-80 -94.34 1.61 55.87 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.358 -179.531 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 56.0 23.83 7.12 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.122 -174.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.619 HD13 ' HB3' ' A' ' 35' ' ' ASN . 2.5 mp -72.75 164.28 26.79 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.028 178.664 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.485 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . 54.2 mt-30 -85.03 134.65 34.21 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.268 175.189 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.497 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 0.2 OUTLIER -46.23 -52.78 11.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 123.493 0.495 . . . . 0.0 110.938 177.811 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.817 HG23 HD12 ' B' ' 18' ' ' ILE . 6.4 m -58.8 -49.1 78.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.476 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.485 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 29.2 tt0 -54.21 -39.43 66.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.699 -179.397 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.75 ' HB3' HD11 ' A' ' 28' ' ' LEU . . . -70.86 -42.75 69.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.991 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.5 mp -57.88 -45.83 87.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.965 0.412 . . . . 0.0 110.388 175.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.472 ' HG2' ' HB2' ' B' ' 20' ' ' MET . 46.0 mt-10 -63.29 -44.71 94.28 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.944 -178.415 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -65.35 -35.19 80.21 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 175.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.79 ' HB1' ' HA ' ' B' ' 47' ' ' ILE . . . -63.67 -55.14 25.73 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.608 178.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.819 ' HA ' ' HB1' ' B' ' 46' ' ' ALA . 7.0 tt -70.3 -25.11 26.61 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.18 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.985 -176.027 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.468 ' HE3' HD12 ' B' ' 24' ' ' LEU . 0.6 OUTLIER -71.83 -55.03 8.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.941 178.285 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.669 ' HB3' ' HE2' ' B' ' 53' ' ' LYS . 7.5 mt-10 -69.24 -11.7 61.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.553 -179.281 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.604 ' CD1' ' HA ' ' B' ' 46' ' ' ALA . 62.6 t80 -77.32 -47.61 19.54 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.785 176.041 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.609 ' HG ' ' HG3' ' B' ' 27' ' ' ARG . 0.2 OUTLIER -59.68 -39.16 83.59 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.041 175.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -72.51 -38.46 68.08 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.246 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.807 ' HD3' ' HD3' ' B' ' 53' ' ' LYS . 24.9 ttpp -74.18 -14.7 60.99 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.211 0.529 . . . . 0.0 110.406 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.446 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 2.8 tpt180 -104.14 -69.84 0.79 Allowed 'General case' 0 N--CA 1.439 -1.018 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.028 -177.215 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -174.17 -66.12 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.258 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.806 -0.997 . . . . 0.0 112.505 -179.372 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 50.2 tptt . . . . . 0 N--CA 1.478 0.956 0 CA-C-O 121.475 0.655 . . . . 0.0 109.878 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 12' ' ' GLN . . . . . 0.737 ' HG3' ' HB3' ' A' ' 22' ' ' LYS . 27.9 pt20 -85.49 133.17 34.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.759 178.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -108.39 155.34 20.67 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.41 0.624 . . . . 0.0 111.541 -174.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -139.42 168.23 20.3 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.477 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.465 HG22 ' CD1' ' A' ' 19' ' ' TYR . 2.1 t -108.07 160.4 7.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.113 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.522 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 1.4 t80 -148.97 124.11 10.12 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 -179.103 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' GLY . . . . . 0.536 ' HA2' ' O ' ' A' ' 16' ' ' PHE . . . -128.46 93.82 0.36 Allowed Glycine 0 N--CA 1.449 -0.443 0 N-CA-C 111.522 -0.631 . . . . 0.0 111.522 179.297 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.817 HD12 HG23 ' A' ' 40' ' ' THR . 43.7 pt -123.92 165.82 19.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.892 0.377 . . . . 0.0 111.824 -174.265 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' TYR . . . . . 0.473 ' CD1' HG22 ' A' ' 15' ' ' VAL . 74.0 m-85 -109.07 93.22 4.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.875 175.197 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' MET . . . . . 0.472 ' HB2' ' HG2' ' A' ' 44' ' ' GLU . 24.5 ptm -105.1 157.51 17.2 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.848 -177.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.04 150.11 14.3 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.382 0.611 . . . . 0.0 111.29 -179.338 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.688 ' HB3' ' HG3' ' A' ' 12' ' ' GLN . 3.5 ttmp? -79.0 -59.64 2.7 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.018 -174.36 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -48.56 -36.26 15.1 Favored 'General case' 0 C--N 1.322 -0.605 0 O-C-N 123.946 0.779 . . . . 0.0 111.85 -177.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' LEU . . . . . 0.663 HD11 HG23 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -73.06 -57.86 3.73 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.537 178.771 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.467 ' HD2' ' CD1' ' A' ' 16' ' ' PHE . 3.0 ttpm? -58.43 -33.74 70.04 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.641 0.734 . . . . 0.0 110.008 178.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' THR . . . . . 0.53 ' O ' HG23 ' B' ' 30' ' ' VAL . 44.7 m -77.26 -30.98 54.65 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.867 -1.061 . . . . 0.0 110.658 -177.547 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.609 ' HG3' ' HG ' ' A' ' 51' ' ' LEU . 18.4 tpp180 -58.79 -54.04 51.55 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.508 0.671 . . . . 0.0 109.241 172.241 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.728 HD11 ' HB3' ' B' ' 42' ' ' ALA . 3.1 tm? -58.28 -36.41 73.24 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.419 174.036 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.453 ' C ' ' HD3' ' B' ' 29' ' ' LYS . 1.3 tmtp? -56.7 -42.61 79.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.036 0.446 . . . . 0.0 110.128 176.261 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.53 HG23 ' O ' ' B' ' 26' ' ' THR . 76.9 t -66.41 -33.52 64.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.496 0.665 . . . . 0.0 110.519 177.241 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' TYR . . . . . 0.464 ' HB3' ' O ' ' B' ' 28' ' ' LEU . 88.1 t80 -64.57 -37.71 88.51 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.631 175.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' CYS . . . . . 0.512 ' SG ' ' HA ' ' B' ' 39' ' ' LEU . 82.4 m -75.05 -24.28 58.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.022 178.178 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.27 -33.9 32.4 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.231 0.539 . . . . 0.0 110.279 178.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -75.02 -43.54 53.08 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.355 -0.838 . . . . 0.0 111.461 -179.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ASN . . . . . 0.62 ' HB3' HD13 ' B' ' 37' ' ' LEU . 46.7 m-80 -94.23 1.4 56.01 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.89 0.376 . . . . 0.0 110.26 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 55.75 24.94 7.75 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.955 -174.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.62 HD13 ' HB3' ' B' ' 35' ' ' ASN . 2.5 mp -73.66 164.35 26.77 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.051 178.382 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.502 ' HB2' ' HB2' ' B' ' 41' ' ' GLN . 53.8 mt-30 -84.87 134.85 34.27 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.32 175.147 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.512 ' HA ' ' SG ' ' B' ' 32' ' ' CYS . 0.2 OUTLIER -46.64 -52.58 13.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 123.471 0.482 . . . . 0.0 110.839 178.073 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 40' ' ' THR . . . . . 0.79 HG23 HD12 ' A' ' 18' ' ' ILE . 6.1 m -58.83 -48.81 80.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.533 -179.691 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.502 ' HB2' ' HB2' ' B' ' 38' ' ' GLN . 29.7 tt0 -54.43 -39.47 67.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.564 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.728 ' HB3' HD11 ' B' ' 28' ' ' LEU . . . -70.93 -42.67 69.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.887 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 1.5 mp -58.18 -45.55 88.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 121.136 0.493 . . . . 0.0 110.451 175.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.503 ' HG2' ' HB2' ' A' ' 20' ' ' MET . 45.2 mt-10 -63.61 -44.46 93.9 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.921 -178.335 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -65.53 -35.15 80.0 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.928 0.395 . . . . 0.0 109.969 175.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.819 ' HB1' ' HA ' ' A' ' 47' ' ' ILE . . . -63.57 -54.95 27.97 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.815 178.475 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.79 ' HA ' ' HB1' ' A' ' 46' ' ' ALA . 6.9 tt -70.43 -25.41 26.93 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.047 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.912 -176.12 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.476 ' HE3' HD12 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -71.72 -54.8 9.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.052 0.453 . . . . 0.0 110.011 178.216 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.652 ' HB3' ' HE2' ' A' ' 53' ' ' LYS . 7.7 mt-10 -69.35 -11.65 60.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.556 -179.22 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 50' ' ' TYR . . . . . 0.597 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 63.2 t80 -77.46 -47.88 18.55 Favored 'General case' 0 N--CA 1.438 -1.066 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.833 175.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.6 ' HG ' ' HG3' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -59.28 -39.46 82.99 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.067 175.874 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -72.14 -38.81 69.13 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.813 0.339 . . . . 0.0 111.256 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.807 ' HD3' ' HD3' ' A' ' 53' ' ' LYS . 25.1 ttpp -73.33 -16.16 61.37 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.211 0.529 . . . . 0.0 110.188 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.449 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 2.8 tpt180 -103.19 -69.94 0.78 Allowed 'General case' 0 N--CA 1.44 -0.927 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.94 -176.634 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -174.32 -65.65 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.463 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.605 -1.108 . . . . 0.0 112.345 -179.928 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt . . . . . 0 N--CA 1.478 0.947 0 CA-C-O 121.038 0.447 . . . . 0.0 109.917 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.428 ' HG3' ' HB3' ' B' ' 22' ' ' LYS . 27.0 pt20 -112.89 120.56 41.85 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 175.228 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -94.41 146.41 24.09 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.696 0.76 . . . . 0.0 112.544 -168.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.436 ' O ' ' HA ' ' B' ' 19' ' ' TYR . . . -133.8 174.58 10.3 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.316 -1.311 . . . . 0.0 108.686 176.283 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.405 HG22 ' CD1' ' B' ' 19' ' ' TYR . 2.1 t -114.43 159.97 14.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.181 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.522 ' O ' ' HA2' ' B' ' 17' ' ' GLY . 2.3 t80 -149.34 121.6 8.39 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -177.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.519 ' HA2' ' O ' ' B' ' 16' ' ' PHE . . . -126.9 93.54 0.4 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 121.024 -0.608 . . . . 0.0 111.631 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.723 HD12 HG23 ' B' ' 40' ' ' THR . 33.3 pt -122.73 167.26 16.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 120.785 0.326 . . . . 0.0 111.722 -174.258 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.429 ' HA ' ' O ' ' B' ' 14' ' ' ALA . 66.7 m-85 -107.81 93.55 4.6 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.155 176.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.463 ' HB2' ' HG2' ' B' ' 44' ' ' GLU . 26.1 ptm -106.34 158.68 16.7 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.006 -178.162 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -58.2 152.79 16.35 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.308 0.575 . . . . 0.0 111.152 -179.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.441 ' HB3' ' HG3' ' B' ' 12' ' ' GLN . 77.3 tttt -78.47 -61.55 1.97 Allowed 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.847 -177.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -47.58 -35.51 9.23 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.092 0.87 . . . . 0.0 112.415 -176.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.698 HD11 ' CG2' ' B' ' 47' ' ' ILE . 0.6 OUTLIER -78.03 -52.55 8.61 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.497 -179.363 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.461 ' N ' HD13 ' A' ' 24' ' ' LEU . 3.3 ttpm? -61.42 -33.57 73.92 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.787 0.803 . . . . 0.0 109.967 177.665 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.435 ' O ' HG23 ' A' ' 30' ' ' VAL . 22.0 m -74.48 -33.96 62.99 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.539 -1.209 . . . . 0.0 110.903 -177.301 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.44 ' HG3' ' HG ' ' B' ' 51' ' ' LEU . 13.8 tpp180 -56.33 -52.25 65.24 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.375 0.607 . . . . 0.0 109.777 171.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.658 HD11 ' HB3' ' A' ' 42' ' ' ALA . 3.3 tm? -61.19 -37.21 82.15 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.963 176.372 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.454 ' C ' ' HD3' ' A' ' 29' ' ' LYS . 1.3 tmtp? -54.86 -39.49 68.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.073 0.464 . . . . 0.0 110.343 176.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 26' ' ' THR . 78.4 t -69.11 -34.48 63.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.412 0.625 . . . . 0.0 110.784 177.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.506 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 86.1 t80 -62.37 -39.16 92.27 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.678 175.466 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.538 ' SG ' ' HA ' ' A' ' 39' ' ' LEU . 80.7 m -72.47 -25.6 61.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.405 178.653 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.11 -38.11 32.28 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 121.212 0.53 . . . . 0.0 110.187 178.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -77.01 -36.41 56.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.859 -176.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.506 ' HB3' HD13 ' A' ' 37' ' ' LEU . 34.1 m-80 -95.01 -1.05 53.17 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.003 0.43 . . . . 0.0 110.162 178.451 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.2 m120 57.61 25.6 11.85 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.829 -174.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.506 HD13 ' HB3' ' A' ' 35' ' ' ASN . 1.9 mp -76.1 165.47 24.87 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.186 178.625 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -88.31 135.56 33.4 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.448 174.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.538 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 0.1 OUTLIER -46.73 -50.86 17.37 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 123.484 0.49 . . . . 0.0 110.732 178.333 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.739 HG23 HD12 ' B' ' 18' ' ' ILE . 5.0 m -60.63 -49.37 77.78 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.503 -179.334 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -55.62 -38.09 69.04 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.939 0.4 . . . . 0.0 110.515 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.658 ' HB3' HD11 ' A' ' 28' ' ' LEU . . . -67.61 -45.55 75.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.172 179.249 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.462 ' O ' HG22 ' A' ' 47' ' ' ILE . 1.5 mp -57.53 -46.43 86.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.828 0.347 . . . . 0.0 110.473 175.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.454 ' HG2' ' HB2' ' B' ' 20' ' ' MET . 46.8 mt-10 -62.38 -43.52 98.62 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.027 -178.632 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -63.05 -38.9 93.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.059 0.457 . . . . 0.0 109.979 173.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.744 ' HB1' ' HA ' ' B' ' 47' ' ' ILE . . . -62.23 -54.97 33.14 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.761 -179.304 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.75 ' HA ' ' HB1' ' B' ' 46' ' ' ALA . 19.9 tt -69.8 -23.83 26.15 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.148 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.292 -177.192 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.582 ' HA ' ' HE3' ' A' ' 48' ' ' LYS . 0.6 OUTLIER -71.98 -60.61 2.14 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 177.186 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.42 -21.46 25.33 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.644 175.683 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.651 ' CD1' ' HA ' ' B' ' 46' ' ' ALA . 60.4 t80 -70.51 -51.93 25.37 Favored 'General case' 0 N--CA 1.439 -1.024 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.618 -177.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.464 ' HG ' ' HG3' ' B' ' 27' ' ' ARG . 0.2 OUTLIER -58.42 -37.14 74.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.146 178.569 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -77.15 -35.53 56.01 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.473 -0.491 . . . . 0.0 111.417 -178.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -71.26 -23.32 61.96 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.377 0.608 . . . . 0.0 110.812 178.063 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.444 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 0.9 OUTLIER -100.88 -65.52 0.96 Allowed 'General case' 0 N--CA 1.436 -1.157 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.177 -171.682 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -174.11 -66.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.484 -178.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.884 0 CA-C-O 118.962 -0.91 . . . . 0.0 111.392 -175.717 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 12' ' ' GLN . . . . . 0.441 ' HG3' ' HB3' ' A' ' 22' ' ' LYS . 27.0 pt20 -113.4 120.42 41.0 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 175.242 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -94.4 146.23 24.21 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.778 0.799 . . . . 0.0 112.652 -168.048 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.429 ' O ' ' HA ' ' A' ' 19' ' ' TYR . . . -133.65 174.57 10.3 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.266 -1.334 . . . . 0.0 108.687 176.39 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.404 HG22 ' CD1' ' A' ' 19' ' ' TYR . 2.1 t -114.7 159.54 14.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.24 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.519 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 2.3 t80 -148.94 121.71 8.68 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -177.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' GLY . . . . . 0.522 ' HA2' ' O ' ' A' ' 16' ' ' PHE . . . -127.13 93.14 0.39 Allowed Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.926 -0.654 . . . . 0.0 111.666 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.739 HD12 HG23 ' A' ' 40' ' ' THR . 33.0 pt -122.33 167.29 16.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.855 0.36 . . . . 0.0 111.685 -173.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 66.8 m-85 -107.91 93.49 4.56 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.057 177.182 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' MET . . . . . 0.454 ' HB2' ' HG2' ' A' ' 44' ' ' GLU . 26.1 ptm -106.37 158.91 16.54 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.027 -178.09 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -58.46 152.58 17.65 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.114 0.483 . . . . 0.0 111.082 -179.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.428 ' HB3' ' HG3' ' A' ' 12' ' ' GLN . 77.8 tttt -78.4 -61.73 1.91 Allowed 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 115.707 -0.678 . . . . 0.0 109.885 -177.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -47.2 -35.73 7.88 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 124.036 0.835 . . . . 0.0 112.412 -176.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' LEU . . . . . 0.682 HD11 ' CG2' ' A' ' 47' ' ' ILE . 0.6 OUTLIER -77.84 -52.66 8.52 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.435 -179.245 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.466 ' N ' HD13 ' B' ' 24' ' ' LEU . 3.3 ttpm? -61.35 -33.5 73.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.618 0.723 . . . . 0.0 109.955 177.584 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' THR . . . . . 0.446 ' O ' HG23 ' B' ' 30' ' ' VAL . 22.5 m -74.82 -33.46 62.2 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.76 -1.109 . . . . 0.0 110.818 -177.267 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.464 ' HG3' ' HG ' ' A' ' 51' ' ' LEU . 13.7 tpp180 -56.87 -51.91 67.2 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.346 0.593 . . . . 0.0 109.606 171.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.65 HD11 ' HB3' ' B' ' 42' ' ' ALA . 3.3 tm? -61.44 -37.02 82.02 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.153 -0.931 . . . . 0.0 111.052 176.329 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.457 ' C ' ' HD3' ' B' ' 29' ' ' LYS . 1.3 tmtp? -55.09 -39.21 69.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.074 0.464 . . . . 0.0 110.504 177.046 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.446 HG23 ' O ' ' B' ' 26' ' ' THR . 80.4 t -69.33 -34.6 63.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.534 0.683 . . . . 0.0 110.75 177.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' TYR . . . . . 0.503 ' HB3' ' O ' ' B' ' 28' ' ' LEU . 85.6 t80 -62.09 -39.44 92.47 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.691 175.4 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' CYS . . . . . 0.535 ' SG ' ' HA ' ' B' ' 39' ' ' LEU . 82.3 m -72.21 -25.87 61.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.233 178.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.81 -38.13 33.64 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 121.424 0.63 . . . . 0.0 110.285 178.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -77.03 -36.76 55.94 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.778 -177.035 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ASN . . . . . 0.501 ' HB3' HD13 ' B' ' 37' ' ' LEU . 35.4 m-80 -94.86 -0.56 53.94 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.358 178.438 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 18.5 m120 57.39 25.17 10.99 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.821 -174.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.501 HD13 ' HB3' ' B' ' 35' ' ' ASN . 2.0 mp -75.84 165.31 25.19 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.213 178.562 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -88.4 135.45 33.46 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.423 174.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.535 ' HA ' ' SG ' ' B' ' 32' ' ' CYS . 0.1 OUTLIER -46.38 -50.94 15.87 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 123.515 0.509 . . . . 0.0 110.814 178.296 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 40' ' ' THR . . . . . 0.723 HG23 HD12 ' A' ' 18' ' ' ILE . 5.3 m -60.65 -49.33 77.94 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.443 -179.186 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -55.61 -38.0 68.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.918 0.389 . . . . 0.0 110.466 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.65 ' HB3' HD11 ' B' ' 28' ' ' LEU . . . -67.72 -45.68 74.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.079 179.362 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.461 ' O ' HG22 ' B' ' 47' ' ' ILE . 1.5 mp -57.44 -46.4 85.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 120.866 0.365 . . . . 0.0 110.465 175.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.463 ' HG2' ' HB2' ' A' ' 20' ' ' MET . 47.2 mt-10 -62.66 -43.21 99.39 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.028 -178.617 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -63.29 -38.89 92.93 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.049 0.452 . . . . 0.0 109.967 173.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.75 ' HB1' ' HA ' ' A' ' 47' ' ' ILE . . . -62.24 -55.0 32.72 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.777 -179.393 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.744 ' HA ' ' HB1' ' A' ' 46' ' ' ALA . 20.0 tt -69.69 -23.89 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.128 0 CA-C-N 115.349 -0.842 . . . . 0.0 111.325 -177.35 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.577 ' HA ' ' HE3' ' B' ' 48' ' ' LYS . 0.5 OUTLIER -71.91 -60.46 2.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.137 177.049 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.7 -21.3 26.83 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.703 175.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 50' ' ' TYR . . . . . 0.646 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 60.4 t80 -70.6 -51.92 24.96 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.748 -178.266 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.44 ' HG ' ' HG3' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -58.34 -37.06 74.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.134 178.439 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -77.23 -35.44 55.52 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.589 -0.445 . . . . 0.0 111.461 -178.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -71.07 -23.98 62.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.502 0.668 . . . . 0.0 110.582 178.023 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.446 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 0.9 OUTLIER -100.44 -65.88 0.94 Allowed 'General case' 0 N--CA 1.435 -1.224 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.004 -171.298 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -173.94 -66.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.534 -178.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.751 0 CA-C-O 118.771 -1.016 . . . . 0.0 111.67 -176.128 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.3 mttt . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 120.341 0.115 . . . . 0.0 110.775 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 71.09 -50.24 0.68 Allowed 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.446 0.699 . . . . 0.0 112.877 174.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -103.01 157.04 17.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.344 0.592 . . . . 0.0 111.372 -174.047 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.429 ' O ' ' HA ' ' B' ' 19' ' ' TYR . . . -139.45 169.02 18.52 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.817 176.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.452 HG22 ' CD1' ' B' ' 19' ' ' TYR . 2.2 t -109.19 161.27 7.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 177.093 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.609 ' O ' ' HA2' ' B' ' 17' ' ' GLY . 2.7 t80 -152.82 120.31 5.97 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -178.17 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.603 ' HA2' ' O ' ' B' ' 16' ' ' PHE . . . -126.81 96.57 0.46 Allowed Glycine 0 N--CA 1.451 -0.362 0 O-C-N 123.605 0.566 . . . . 0.0 111.704 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.742 HD12 HG23 ' B' ' 40' ' ' THR . 36.2 pt -124.78 169.23 16.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -174.155 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.464 ' CD1' HG22 ' B' ' 15' ' ' VAL . 75.5 m-85 -108.84 96.47 6.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.275 177.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.465 ' HB2' ' HG2' ' B' ' 44' ' ' GLU . 23.7 ptm -110.77 156.21 21.41 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.991 -177.431 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -59.68 153.8 19.36 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.203 0.525 . . . . 0.0 111.826 -176.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -77.17 -60.88 2.18 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.394 -174.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -50.67 -34.48 26.7 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 123.754 0.658 . . . . 0.0 111.638 -176.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.764 HD23 ' HE2' ' B' ' 48' ' ' LYS . 0.5 OUTLIER -76.16 -56.11 4.95 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.811 -179.784 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.406 ' N ' HD13 ' A' ' 24' ' ' LEU . 3.0 ttpm? -60.14 -31.81 70.43 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.809 0.814 . . . . 0.0 109.558 178.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.501 ' O ' HG23 ' A' ' 30' ' ' VAL . 95.0 m -78.81 -32.71 46.41 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.563 -1.198 . . . . 0.0 110.726 -177.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.607 ' HG3' ' HG ' ' B' ' 51' ' ' LEU . 13.2 tpp180 -56.9 -50.29 72.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.467 0.651 . . . . 0.0 109.58 171.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.736 HD11 ' HB3' ' A' ' 42' ' ' ALA . 3.2 tm? -63.13 -34.53 77.81 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.836 175.285 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.445 ' C ' ' HD3' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -57.54 -40.76 79.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.964 0.411 . . . . 0.0 110.085 175.657 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 26' ' ' THR . 85.0 t -67.39 -33.66 63.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.56 0.695 . . . . 0.0 110.724 177.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.416 ' HB3' HD22 ' A' ' 28' ' ' LEU . 69.2 t80 -65.03 -38.81 92.09 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.854 175.373 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.438 ' SG ' ' HA ' ' A' ' 39' ' ' LEU . 69.6 m -75.65 -21.36 57.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.764 178.543 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.08 -35.66 31.41 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.135 0.493 . . . . 0.0 110.152 176.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -70.65 -46.74 62.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.318 -179.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.457 ' HB3' HD13 ' A' ' 37' ' ' LEU . 39.1 m-80 -94.2 1.27 56.06 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.255 -178.316 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 57.32 22.72 8.07 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.903 -174.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.457 HD13 ' HB3' ' A' ' 35' ' ' ASN . 1.4 mp -70.2 166.4 20.08 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.358 0.599 . . . . 0.0 111.512 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -87.58 132.69 33.98 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.418 175.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.47 HD12 ' CZ ' ' B' ' 16' ' ' PHE . 0.1 OUTLIER -45.72 -49.94 14.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 123.678 0.611 . . . . 0.0 111.063 179.668 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.755 HG23 HD12 ' B' ' 18' ' ' ILE . 7.0 m -61.24 -48.87 79.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.579 -178.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -55.83 -37.84 69.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.084 0.469 . . . . 0.0 110.567 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.736 ' HB3' HD11 ' A' ' 28' ' ' LEU . . . -68.5 -45.54 72.05 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.049 179.108 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.474 ' O ' HG22 ' A' ' 47' ' ' ILE . 1.5 mp -57.2 -46.94 84.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.736 0.303 . . . . 0.0 110.505 176.344 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.475 ' HG2' ' HB2' ' B' ' 20' ' ' MET . 45.5 mt-10 -62.37 -44.99 95.17 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.968 -177.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -65.04 -33.84 77.0 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.859 0.361 . . . . 0.0 110.221 175.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.741 ' HB1' ' HA ' ' B' ' 47' ' ' ILE . . . -64.15 -56.13 16.92 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.594 178.458 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.745 ' HA ' ' HB1' ' B' ' 46' ' ' ALA . 19.1 tt -66.36 -30.06 48.63 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.029 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.355 -178.006 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.793 ' HE2' HD23 ' B' ' 24' ' ' LEU . 14.0 tppt? -67.75 -55.4 13.22 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.074 178.251 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -70.23 -11.71 61.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.778 0.323 . . . . 0.0 110.778 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.64 ' CD1' ' HA ' ' B' ' 46' ' ' ALA . 60.7 t80 -76.88 -45.92 26.43 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.084 177.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.599 ' HG ' ' HG3' ' B' ' 27' ' ' ARG . 0.2 OUTLIER -60.87 -37.81 83.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.398 177.101 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -77.49 -28.11 52.13 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.305 -0.558 . . . . 0.0 111.227 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -73.59 -16.3 61.25 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.496 0.665 . . . . 0.0 109.856 174.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -110.39 -75.57 0.62 Allowed 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.807 -174.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.8 p30 176.74 -58.76 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.574 -175.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.696 -1.058 . . . . 0.0 112.664 178.293 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 98.2 mttt . . . . . 0 N--CA 1.478 0.951 0 CA-C-O 120.233 0.063 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 71.12 -50.15 0.68 Allowed 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.624 0.77 . . . . 0.0 112.766 174.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -103.17 157.42 17.01 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.415 0.626 . . . . 0.0 111.276 -173.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.419 ' O ' ' HA ' ' A' ' 19' ' ' TYR . . . -139.75 169.51 17.59 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.694 177.008 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.464 HG22 ' CD1' ' A' ' 19' ' ' TYR . 2.3 t -109.64 161.38 8.04 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 177.365 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.603 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 2.8 t80 -152.89 120.24 5.91 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 -178.225 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' GLY . . . . . 0.609 ' HA2' ' O ' ' A' ' 16' ' ' PHE . . . -126.85 96.37 0.45 Allowed Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 111.572 -0.611 . . . . 0.0 111.572 -179.659 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.755 HD12 HG23 ' A' ' 40' ' ' THR . 35.8 pt -124.42 169.28 15.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.92 0.39 . . . . 0.0 111.916 -174.324 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' TYR . . . . . 0.452 ' CD1' HG22 ' A' ' 15' ' ' VAL . 75.5 m-85 -108.79 96.37 6.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.22 177.689 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' MET . . . . . 0.475 ' HB2' ' HG2' ' A' ' 44' ' ' GLU . 23.9 ptm -110.59 156.21 21.26 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.828 -177.265 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -59.4 153.94 18.03 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.311 0.577 . . . . 0.0 111.805 -176.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -77.35 -60.69 2.26 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.565 -174.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -50.44 -34.99 26.65 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 123.793 0.683 . . . . 0.0 111.594 -176.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' LEU . . . . . 0.793 HD23 ' HE2' ' A' ' 48' ' ' LYS . 0.5 OUTLIER -76.0 -55.89 5.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.854 -179.521 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.414 ' N ' HD13 ' B' ' 24' ' ' LEU . 3.0 ttpm? -60.37 -31.9 70.78 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.793 0.806 . . . . 0.0 109.537 178.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' THR . . . . . 0.508 ' O ' HG23 ' B' ' 30' ' ' VAL . 97.5 m -78.44 -32.75 48.67 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.503 -1.226 . . . . 0.0 110.627 -177.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.599 ' HG3' ' HG ' ' A' ' 51' ' ' LEU . 13.2 tpp180 -57.31 -50.13 73.91 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.344 0.592 . . . . 0.0 109.486 172.082 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.723 HD11 ' HB3' ' B' ' 42' ' ' ALA . 3.1 tm? -63.16 -34.53 77.83 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.91 175.174 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.445 ' C ' ' HD3' ' B' ' 29' ' ' LYS . 0.9 OUTLIER -57.5 -40.92 79.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.092 0.472 . . . . 0.0 109.948 175.611 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.508 HG23 ' O ' ' B' ' 26' ' ' THR . 86.6 t -67.37 -33.8 64.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.463 0.649 . . . . 0.0 110.688 178.047 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' TYR . . . . . 0.413 ' HB3' HD22 ' B' ' 28' ' ' LEU . 68.9 t80 -64.89 -38.78 92.11 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.884 175.423 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' CYS . . . . . 0.451 ' SG ' ' HA ' ' B' ' 39' ' ' LEU . 69.3 m -75.34 -21.87 58.05 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.68 178.46 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.45 -36.05 34.1 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.168 0.508 . . . . 0.0 110.011 176.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -70.38 -46.8 63.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.404 -178.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ASN . . . . . 0.463 ' HB3' HD13 ' B' ' 37' ' ' LEU . 37.9 m-80 -94.37 1.3 55.87 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.298 -178.17 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 59.9 m-80 57.84 22.15 8.29 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.97 -175.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.463 HD13 ' HB3' ' B' ' 35' ' ' ASN . 1.4 mp -70.07 165.82 21.09 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.463 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -87.33 132.71 33.85 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.533 175.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.454 HD12 ' CZ ' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -45.66 -50.25 13.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 123.727 0.642 . . . . 0.0 111.049 179.717 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 40' ' ' THR . . . . . 0.742 HG23 HD12 ' A' ' 18' ' ' ILE . 6.9 m -60.91 -49.04 79.08 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.642 -178.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -55.87 -37.93 69.44 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.431 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.723 ' HB3' HD11 ' B' ' 28' ' ' LEU . . . -68.35 -45.69 72.15 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.043 179.043 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.474 ' O ' HG22 ' B' ' 47' ' ' ILE . 1.5 mp -57.01 -47.21 83.89 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.153 0 CA-C-O 120.787 0.327 . . . . 0.0 110.536 176.184 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.465 ' HG2' ' HB2' ' A' ' 20' ' ' MET . 44.9 mt-10 -62.13 -45.0 95.38 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.111 -177.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -65.06 -33.96 77.28 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 175.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.745 ' HB1' ' HA ' ' A' ' 47' ' ' ILE . . . -64.03 -56.27 16.24 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.563 178.483 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.741 ' HA ' ' HB1' ' A' ' 46' ' ' ALA . 19.1 tt -66.22 -30.16 49.01 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.067 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.224 -177.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.764 ' HE2' HD23 ' A' ' 24' ' ' LEU . 14.0 tppt? -67.85 -55.46 12.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.995 178.462 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -70.08 -11.77 61.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.815 0.34 . . . . 0.0 110.797 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' TYR . . . . . 0.625 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 61.0 t80 -76.87 -45.94 26.41 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.168 178.116 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.607 ' HG ' ' HG3' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -60.93 -37.64 83.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.493 176.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -77.74 -27.62 50.53 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.198 -0.601 . . . . 0.0 111.433 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -73.92 -16.25 61.11 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.578 0.704 . . . . 0.0 109.828 174.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.408 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 1.1 tpt180 -110.4 -74.99 0.63 Allowed 'General case' 0 N--CA 1.44 -0.941 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.119 -174.56 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 4.0 p30 176.55 -59.35 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.653 0.781 . . . . 0.0 110.454 -175.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.643 -1.087 . . . . 0.0 112.636 178.451 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 2.5 mptp? . . . . . 0 N--CA 1.481 1.114 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -67.85 135.78 53.07 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 174.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -106.8 158.01 17.31 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.566 0.698 . . . . 0.0 112.343 -170.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -134.56 171.25 14.58 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.571 -1.195 . . . . 0.0 109.036 175.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.436 HG22 ' CD1' ' B' ' 19' ' ' TYR . 2.5 t -109.51 162.94 6.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.507 ' O ' ' HA2' ' B' ' 17' ' ' GLY . 3.2 t80 -151.83 121.11 6.77 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.516 ' HA2' ' O ' ' B' ' 16' ' ' PHE . . . -128.46 95.89 0.4 Allowed Glycine 0 N--CA 1.45 -0.406 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 -179.044 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.766 HD12 HG23 ' B' ' 40' ' ' THR . 41.8 pt -124.92 173.34 11.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.931 0.396 . . . . 0.0 111.475 -173.733 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.458 ' CD1' HG22 ' B' ' 15' ' ' VAL . 79.7 m-85 -117.07 101.45 8.49 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.097 179.184 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 22.0 ptm -115.27 158.04 22.91 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.306 -175.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.56 157.95 6.42 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.123 0.487 . . . . 0.0 111.867 -178.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.0 tttm -76.66 -65.16 0.97 Allowed 'General case' 0 C--O 1.214 -0.772 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.207 -178.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -46.3 -39.12 9.58 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.911 0.757 . . . . 0.0 112.157 -174.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.696 HD11 ' CG2' ' B' ' 47' ' ' ILE . 0.8 OUTLIER -71.3 -55.98 6.94 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.792 179.659 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.446 ' N ' HD13 ' A' ' 24' ' ' LEU . 3.8 ttpm? -61.5 -32.55 72.58 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 121.809 0.814 . . . . 0.0 109.906 178.468 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.497 ' O ' HG23 ' A' ' 30' ' ' VAL . 54.0 m -74.27 -37.72 63.63 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.666 -1.152 . . . . 0.0 110.773 -177.126 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.727 ' HG3' ' HG ' ' B' ' 51' ' ' LEU . 15.9 tpp180 -56.25 -50.48 71.2 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.691 173.456 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.67 HD11 ' HB3' ' A' ' 42' ' ' ALA . 3.0 tm? -61.84 -36.59 81.63 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.068 175.588 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.496 ' C ' ' HD3' ' A' ' 29' ' ' LYS . 0.7 OUTLIER -57.67 -40.34 79.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.123 0.487 . . . . 0.0 110.003 176.091 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 26' ' ' THR . 85.5 t -69.49 -32.43 52.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.608 0.718 . . . . 0.0 110.86 177.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.416 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 85.2 t80 -64.83 -38.55 91.37 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.7 174.438 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.427 ' SG ' HD13 ' A' ' 28' ' ' LEU . 69.2 m -74.86 -16.98 60.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.654 177.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.17 -34.53 20.5 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.21 0.529 . . . . 0.0 110.055 176.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -72.74 -46.11 55.2 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.244 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.422 ' HB3' HD13 ' A' ' 37' ' ' LEU . 34.3 m-80 -94.16 3.46 55.24 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.207 -178.275 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 53.53 25.28 4.66 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.328 -173.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.422 HD13 ' HB3' ' A' ' 35' ' ' ASN . 1.3 mp -72.64 164.45 26.46 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.361 0.6 . . . . 0.0 111.512 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -86.24 134.3 33.78 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.407 174.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.485 HD12 ' CZ ' ' B' ' 16' ' ' PHE . 0.2 OUTLIER -46.24 -50.48 15.89 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 123.657 0.598 . . . . 0.0 111.044 178.019 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.767 HG23 HD12 ' B' ' 18' ' ' ILE . 17.3 m -61.95 -47.85 83.0 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.095 -178.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -56.92 -37.6 71.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.544 179.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.67 ' HB3' HD11 ' A' ' 28' ' ' LEU . . . -68.5 -45.97 70.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.192 178.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.496 ' O ' HG22 ' A' ' 47' ' ' ILE . 1.5 mp -56.4 -46.64 82.05 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.185 0 CA-C-O 120.656 0.265 . . . . 0.0 110.34 176.303 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.446 ' HA ' HG22 ' A' ' 47' ' ' ILE . 45.6 mt-10 -62.17 -42.17 99.01 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.973 -179.2 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -62.42 -41.63 98.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.191 0.519 . . . . 0.0 109.895 173.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.701 ' HB1' ' HA ' ' B' ' 47' ' ' ILE . . . -61.3 -54.27 46.09 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.751 -178.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.733 ' HA ' ' HB1' ' B' ' 46' ' ' ALA . 20.3 tt -69.79 -24.87 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.17 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.022 -177.529 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.646 ' HE3' HD23 ' B' ' 24' ' ' LEU . 1.5 tpmt? -70.88 -61.04 1.91 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.123 177.559 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.07 -22.48 50.49 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.161 177.602 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.625 ' CD1' ' HA ' ' B' ' 46' ' ' ALA . 55.4 t80 -69.35 -51.48 36.49 Favored 'General case' 0 N--CA 1.439 -1.008 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.625 -178.376 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.701 ' HG ' ' HG3' ' B' ' 27' ' ' ARG . 0.2 OUTLIER -60.21 -35.56 75.68 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.314 178.085 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -75.75 -36.71 59.8 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.688 -0.405 . . . . 0.0 111.153 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -70.49 -19.42 62.94 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.338 0.59 . . . . 0.0 110.184 177.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.463 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -104.59 -75.64 0.62 Allowed 'General case' 0 N--CA 1.436 -1.175 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.38 -174.314 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.7 p30 177.57 -54.71 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.104 0.562 . . . . 0.0 111.287 -177.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.768 -1.018 . . . . 0.0 112.6 178.836 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' B' ' 11' ' ' LYS . 2.5 mptp? . . . . . 0 N--CA 1.479 0.982 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -68.11 135.83 52.78 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 174.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -107.07 158.52 17.0 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.424 0.631 . . . . 0.0 112.224 -170.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -134.93 171.19 14.75 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.672 -1.149 . . . . 0.0 108.891 176.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.458 HG22 ' CD1' ' A' ' 19' ' ' TYR . 2.5 t -109.56 163.04 6.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 179.533 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.516 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 3.2 t80 -151.99 121.14 6.71 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' GLY . . . . . 0.507 ' HA2' ' O ' ' A' ' 16' ' ' PHE . . . -128.19 96.13 0.41 Allowed Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 111.431 -0.668 . . . . 0.0 111.431 -179.143 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.767 HD12 HG23 ' A' ' 40' ' ' THR . 42.2 pt -125.01 173.36 11.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.984 0.421 . . . . 0.0 111.39 -173.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' TYR . . . . . 0.436 ' CD1' HG22 ' A' ' 15' ' ' VAL . 79.4 m-85 -117.13 101.66 8.65 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.077 178.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 22.0 ptm -115.15 158.07 22.74 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.342 -176.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.92 158.17 6.88 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.162 0.506 . . . . 0.0 111.809 -178.763 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -76.81 -64.89 1.02 Allowed 'General case' 0 C--O 1.215 -0.742 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.237 -178.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -46.55 -39.05 10.3 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 123.939 0.775 . . . . 0.0 111.968 -174.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' LEU . . . . . 0.682 HD11 ' CG2' ' A' ' 47' ' ' ILE . 0.8 OUTLIER -71.37 -55.58 7.69 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.798 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.448 ' N ' HD13 ' B' ' 24' ' ' LEU . 3.9 ttpm? -61.88 -32.25 72.6 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 121.724 0.773 . . . . 0.0 109.894 178.354 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' THR . . . . . 0.48 ' O ' HG23 ' B' ' 30' ' ' VAL . 54.8 m -74.59 -37.89 62.76 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.678 -1.146 . . . . 0.0 110.537 -177.068 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.701 ' HG3' ' HG ' ' A' ' 51' ' ' LEU . 15.9 tpp180 -55.84 -50.94 69.19 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.631 173.502 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.654 HD11 ' HB3' ' B' ' 42' ' ' ALA . 3.0 tm? -61.7 -36.35 80.66 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.162 175.652 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.496 ' C ' ' HD3' ' B' ' 29' ' ' LYS . 0.7 OUTLIER -57.63 -40.59 79.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.088 0.471 . . . . 0.0 109.953 175.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.48 HG23 ' O ' ' B' ' 26' ' ' THR . 84.8 t -69.28 -32.85 55.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.716 177.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' TYR . . . . . 0.418 ' HB3' HD22 ' B' ' 28' ' ' LEU . 84.6 t80 -64.5 -38.82 92.34 Favored 'General case' 0 C--N 1.313 -1.022 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.557 174.449 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' CYS . . . . . 0.423 ' SG ' HD13 ' B' ' 28' ' ' LEU . 70.7 m -74.68 -17.2 60.71 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.705 178.135 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.13 -34.36 20.62 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.335 0.588 . . . . 0.0 109.978 176.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -72.67 -46.33 54.43 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.113 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ASN . . . . . 0.412 ' HB3' HD13 ' B' ' 37' ' ' LEU . 34.5 m-80 -94.16 3.37 55.38 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.201 -178.128 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 53.55 25.79 5.11 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.16 -174.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.412 HD13 ' HB3' ' B' ' 35' ' ' ASN . 1.3 mp -72.97 164.77 26.19 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-O 121.338 0.59 . . . . 0.0 111.489 179.511 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -86.71 134.61 33.58 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.118 -0.946 . . . . 0.0 109.214 174.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.487 HD12 ' CZ ' ' A' ' 16' ' ' PHE . 0.2 OUTLIER -46.53 -50.41 17.23 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 123.602 0.564 . . . . 0.0 111.019 178.036 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 40' ' ' THR . . . . . 0.766 HG23 HD12 ' A' ' 18' ' ' ILE . 18.0 m -61.93 -47.64 84.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.227 -179.194 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -57.16 -37.51 72.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.448 179.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.654 ' HB3' HD11 ' B' ' 28' ' ' LEU . . . -68.57 -45.93 70.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.132 178.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.495 ' O ' HG22 ' B' ' 47' ' ' ILE . 1.5 mp -56.63 -46.25 82.74 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.261 0 CA-C-O 120.708 0.289 . . . . 0.0 110.318 176.76 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.444 ' HA ' HG22 ' B' ' 47' ' ' ILE . 47.1 mt-10 -62.41 -42.0 99.1 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.052 -179.183 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -62.45 -41.61 98.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.339 0.59 . . . . 0.0 109.768 173.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.733 ' HB1' ' HA ' ' A' ' 47' ' ' ILE . . . -61.24 -54.33 45.57 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.707 -178.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.701 ' HA ' ' HB1' ' A' ' 46' ' ' ALA . 20.4 tt -69.62 -24.95 27.68 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.206 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.028 -177.636 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.659 ' HE3' HD23 ' A' ' 24' ' ' LEU . 1.5 tpmt? -71.01 -60.78 2.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.292 177.632 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.29 -22.42 52.75 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 177.488 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 50' ' ' TYR . . . . . 0.63 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 55.9 t80 -69.34 -51.6 35.35 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.571 -178.431 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.727 ' HG ' ' HG3' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -60.51 -34.75 74.53 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.551 178.023 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -76.23 -36.72 58.41 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.094 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -71.0 -18.59 62.59 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.459 0.647 . . . . 0.0 110.349 177.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.461 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 0.3 OUTLIER -105.12 -75.42 0.63 Allowed 'General case' 0 N--CA 1.435 -1.175 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.502 -174.708 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 5.8 p30 177.36 -54.99 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.21 -177.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.951 0 CA-C-O 118.999 -0.889 . . . . 0.0 112.548 178.879 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.4 mttt . . . . . 0 N--CA 1.48 1.057 0 CA-C-O 120.826 0.346 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.578 ' OE1' ' HD3' ' B' ' 22' ' ' LYS . 22.5 pt20 -73.59 123.26 23.64 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 177.701 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -107.46 145.29 33.23 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.768 -171.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -134.14 162.15 32.91 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.503 176.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.421 HG22 ' CD1' ' B' ' 19' ' ' TYR . 2.2 t -102.28 160.28 4.17 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 -178.287 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.538 ' O ' ' HA2' ' B' ' 17' ' ' GLY . 2.3 t80 -146.85 123.27 11.01 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.454 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.527 ' HA2' ' O ' ' B' ' 16' ' ' PHE . . . -131.43 90.95 0.28 Allowed Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.527 -177.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.728 HD12 HG23 ' B' ' 40' ' ' THR . 47.3 pt -122.51 162.99 21.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.844 0.354 . . . . 0.0 111.413 -174.531 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.455 ' CD1' HG22 ' B' ' 15' ' ' VAL . 63.8 m-85 -108.28 94.47 5.08 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.839 -0.618 . . . . 0.0 109.968 175.087 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.779 ' SD ' ' HB2' ' A' ' 25' ' ' LYS . 1.8 ptp -98.87 178.81 4.84 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.879 177.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.7 158.18 35.15 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 121.206 0.527 . . . . 0.0 110.932 176.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.54 ' HD3' ' OE1' ' B' ' 12' ' ' GLN . 51.0 tttm -78.91 -59.11 2.91 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.583 -177.392 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -47.6 -38.83 15.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.03 0.831 . . . . 0.0 111.873 -175.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.685 HD11 HG23 ' B' ' 47' ' ' ILE . 0.9 OUTLIER -73.78 -59.02 2.91 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.751 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.779 ' HB2' ' SD ' ' A' ' 20' ' ' MET . 3.1 ttpm? -51.85 -38.15 54.85 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.965 0.888 . . . . 0.0 109.732 176.217 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.488 ' O ' HG23 ' A' ' 30' ' ' VAL . 98.8 m -75.89 -32.12 59.53 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.09 -1.414 . . . . 0.0 110.904 -175.477 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.522 ' HG3' ' HG ' ' B' ' 51' ' ' LEU . 17.7 tpp180 -57.95 -53.76 54.63 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.28 172.053 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.673 HD11 ' HB3' ' A' ' 42' ' ' ALA . 3.0 tm? -60.1 -36.16 76.82 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.325 174.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.407 ' C ' ' HD3' ' A' ' 29' ' ' LYS . 13.6 tmtt? -56.05 -45.14 79.35 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.117 0.484 . . . . 0.0 110.579 176.267 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 26' ' ' THR . 90.6 t -66.67 -34.02 67.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.482 0.658 . . . . 0.0 110.655 179.13 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.414 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 91.3 t80 -63.1 -39.06 93.59 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.697 174.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.454 ' SG ' HD13 ' A' ' 28' ' ' LEU . 71.9 m -69.16 -36.62 77.58 Favored 'General case' 0 C--O 1.216 -0.687 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.725 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.85 -37.93 73.15 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 121.325 0.583 . . . . 0.0 110.563 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -71.96 -37.99 69.85 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.66 -177.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.577 ' HB3' HD13 ' A' ' 37' ' ' LEU . 34.8 m-80 -96.09 -1.35 48.83 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.585 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 60.92 24.24 14.28 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.61 -174.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.577 HD13 ' HB3' ' A' ' 35' ' ' ASN . 2.6 mp -75.93 163.66 26.97 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.034 178.051 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -91.66 134.1 34.99 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.372 176.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.442 HD12 ' CZ ' ' B' ' 16' ' ' PHE . 0.2 OUTLIER -45.3 -51.5 10.9 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 123.496 0.498 . . . . 0.0 111.3 178.621 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.739 HG23 HD12 ' B' ' 18' ' ' ILE . 14.5 m -60.15 -47.73 84.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.017 -179.528 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -56.6 -38.78 72.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.264 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.673 ' HB3' HD11 ' A' ' 28' ' ' LEU . . . -69.73 -44.24 70.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.162 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.47 HG21 HD11 ' B' ' 18' ' ' ILE . 1.5 mp -58.34 -46.22 89.23 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.362 0 CA-C-O 120.535 0.207 . . . . 0.0 110.518 175.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.605 ' HG2' ' HB2' ' B' ' 20' ' ' MET . 46.9 mt-10 -61.15 -44.55 97.14 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.668 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -61.16 -40.91 95.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.007 0.432 . . . . 0.0 109.893 174.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.686 ' HB1' ' HA ' ' B' ' 47' ' ' ILE . . . -63.1 -54.09 43.41 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.623 -179.027 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.677 ' HA ' ' HB1' ' B' ' 46' ' ' ALA . 21.1 tt -69.46 -27.0 32.49 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.987 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.073 -177.408 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.58 ' HA ' ' HE3' ' A' ' 48' ' ' LYS . 0.6 OUTLIER -70.79 -56.39 6.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.894 0.378 . . . . 0.0 110.454 179.15 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -72.76 -9.1 58.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.826 -177.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.611 ' CD1' ' HA ' ' B' ' 46' ' ' ALA . 66.9 t80 -76.15 -45.3 34.21 Favored 'General case' 0 N--CA 1.434 -1.235 0 CA-C-N 116.114 -0.493 . . . . 0.0 109.854 176.216 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.509 ' HG ' ' HG3' ' B' ' 27' ' ' ARG . 0.2 OUTLIER -60.6 -38.41 84.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.169 175.534 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -75.65 -35.92 60.3 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.6 -0.44 . . . . 0.0 111.522 -179.102 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 60.0 tttt -71.15 -19.82 62.38 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.424 0.631 . . . . 0.0 110.187 176.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.54 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 2.1 tpt180 -99.5 -72.33 0.67 Allowed 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.062 -174.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -173.9 -61.36 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.343 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.946 0 CA-C-O 118.486 -1.175 . . . . 0.0 112.252 -179.139 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 95.7 mttt . . . . . 0 N--CA 1.482 1.148 0 CA-C-O 120.857 0.36 . . . . 0.0 110.708 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 12' ' ' GLN . . . . . 0.54 ' OE1' ' HD3' ' A' ' 22' ' ' LYS . 22.2 pt20 -73.62 123.41 23.97 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.689 177.632 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -107.73 145.17 33.83 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.713 -171.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -134.03 162.08 33.07 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.551 177.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.455 HG22 ' CD1' ' A' ' 19' ' ' TYR . 2.2 t -102.12 160.07 4.16 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.054 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 -178.552 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.527 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 2.3 t80 -146.7 123.21 11.07 Favored 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.251 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' GLY . . . . . 0.538 ' HA2' ' O ' ' A' ' 16' ' ' PHE . . . -130.95 90.99 0.29 Allowed Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.995 -0.621 . . . . 0.0 111.616 -178.093 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.739 HD12 HG23 ' A' ' 40' ' ' THR . 47.5 pt -122.48 163.06 21.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 120.737 0.303 . . . . 0.0 111.352 -174.346 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' TYR . . . . . 0.421 ' CD1' HG22 ' A' ' 15' ' ' VAL . 64.1 m-85 -108.26 95.06 5.41 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.898 174.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' MET . . . . . 0.771 ' SD ' ' HB2' ' B' ' 25' ' ' LYS . 1.7 ptp -99.33 178.87 4.76 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.812 177.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.65 158.07 35.42 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-O 121.148 0.499 . . . . 0.0 110.778 177.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.578 ' HD3' ' OE1' ' A' ' 12' ' ' GLN . 51.2 tttm -78.73 -59.43 2.78 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.63 -177.637 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -47.47 -38.67 14.18 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.023 0.827 . . . . 0.0 111.905 -175.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' LEU . . . . . 0.699 HD23 ' SD ' ' B' ' 20' ' ' MET . 0.9 OUTLIER -73.97 -58.93 2.97 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.738 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.771 ' HB2' ' SD ' ' B' ' 20' ' ' MET . 3.1 ttpm? -51.86 -38.42 55.9 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.936 0.874 . . . . 0.0 109.731 176.036 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' THR . . . . . 0.489 ' O ' HG23 ' B' ' 30' ' ' VAL . 99.2 m -75.5 -32.17 60.45 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.093 -1.412 . . . . 0.0 110.82 -175.612 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.509 ' HG3' ' HG ' ' A' ' 51' ' ' LEU . 17.8 tpp180 -58.04 -53.82 53.92 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 172.151 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.672 HD11 ' HB3' ' B' ' 42' ' ' ALA . 3.0 tm? -60.21 -35.85 76.33 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.407 174.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.4 ' C ' ' HD3' ' B' ' 29' ' ' LYS . 13.6 tmtt? -56.26 -45.0 80.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.11 0.481 . . . . 0.0 110.517 176.2 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.489 HG23 ' O ' ' B' ' 26' ' ' THR . 93.4 t -66.79 -34.15 68.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.418 0.628 . . . . 0.0 110.599 179.166 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' TYR . . . . . 0.401 ' HB3' ' O ' ' B' ' 28' ' ' LEU . 91.5 t80 -62.89 -39.01 93.2 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.765 174.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' CYS . . . . . 0.449 ' SG ' HD13 ' B' ' 28' ' ' LEU . 72.0 m -69.27 -36.34 77.0 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.012 179.17 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.96 -37.82 72.78 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 121.32 0.581 . . . . 0.0 110.588 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -72.32 -37.69 68.86 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.648 -177.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ASN . . . . . 0.559 ' HB3' HD13 ' B' ' 37' ' ' LEU . 35.5 m-80 -96.42 -1.12 48.17 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.591 179.657 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 60.49 24.5 14.12 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.547 -174.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.559 HD13 ' HB3' ' B' ' 35' ' ' ASN . 2.7 mp -76.2 163.31 27.19 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.965 178.03 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -91.19 134.28 34.68 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.415 176.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.431 HD12 ' CZ ' ' A' ' 16' ' ' PHE . 0.2 OUTLIER -45.22 -51.45 10.67 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 123.426 0.454 . . . . 0.0 111.265 178.334 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 40' ' ' THR . . . . . 0.728 HG23 HD12 ' A' ' 18' ' ' ILE . 15.1 m -60.12 -47.87 84.1 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.98 -179.279 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -56.31 -38.98 72.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.505 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.672 ' HB3' HD11 ' B' ' 28' ' ' LEU . . . -69.78 -44.2 70.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.215 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.462 HG21 HD11 ' A' ' 18' ' ' ILE . 1.5 mp -58.34 -46.36 89.18 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 CA-C-O 120.626 0.251 . . . . 0.0 110.349 175.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.573 ' HG2' ' HB2' ' A' ' 20' ' ' MET . 47.3 mt-10 -61.16 -44.94 96.52 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.664 -179.481 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -60.61 -40.87 93.43 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.249 0.547 . . . . 0.0 109.877 174.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.677 ' HB1' ' HA ' ' A' ' 47' ' ' ILE . . . -63.25 -54.18 41.4 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.62 -178.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.686 ' HA ' ' HB1' ' A' ' 46' ' ' ALA . 21.2 tt -69.28 -27.12 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.99 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.056 -177.428 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.57 ' HA ' ' HE3' ' B' ' 48' ' ' LYS . 0.6 OUTLIER -70.75 -56.22 6.87 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 121.156 0.503 . . . . 0.0 110.556 179.368 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -72.65 -9.67 58.88 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.808 -177.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' TYR . . . . . 0.605 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 66.6 t80 -75.72 -45.01 39.06 Favored 'General case' 0 N--CA 1.434 -1.243 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.824 176.398 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.522 ' HG ' ' HG3' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -61.01 -38.39 85.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.953 175.815 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -75.62 -35.77 60.42 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.526 -0.47 . . . . 0.0 111.423 -179.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 60.7 tttt -71.47 -19.81 62.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.406 0.622 . . . . 0.0 110.109 176.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.54 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 2.2 tpt180 -99.35 -72.2 0.67 Allowed 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.037 -174.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -173.95 -61.36 0.02 OUTLIER 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.384 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.915 0 CA-C-O 118.649 -1.084 . . . . 0.0 112.24 -179.197 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt . . . . . 0 N--CA 1.479 1.008 0 CA-C-O 120.379 0.133 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -69.2 134.81 49.71 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 174.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -107.5 157.47 17.99 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.442 0.639 . . . . 0.0 111.715 -169.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -137.1 168.04 20.36 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.205 176.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.441 HG22 ' CD1' ' B' ' 19' ' ' TYR . 2.4 t -106.56 162.68 5.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.492 ' O ' ' HA2' ' B' ' 17' ' ' GLY . 3.4 t80 -152.24 124.59 8.22 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.484 ' HA2' ' O ' ' B' ' 16' ' ' PHE . . . -131.16 98.92 0.4 Allowed Glycine 0 N--CA 1.45 -0.367 0 N-CA-C 111.615 -0.594 . . . . 0.0 111.615 -179.303 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.786 HD12 HG23 ' B' ' 40' ' ' THR . 45.1 pt -127.37 171.56 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.747 0.308 . . . . 0.0 111.652 -174.242 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.457 ' CD1' HG22 ' B' ' 15' ' ' VAL . 73.8 m-85 -115.52 96.76 5.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.023 176.511 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.458 ' HB2' ' HG2' ' B' ' 44' ' ' GLU . 21.3 ptm -107.37 163.18 13.26 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.504 -177.39 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.77 156.75 10.59 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.078 0.466 . . . . 0.0 111.284 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -79.19 -63.09 1.5 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.806 -177.338 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -48.19 -39.39 20.81 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 123.874 0.734 . . . . 0.0 111.631 -175.057 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.776 HD11 HG23 ' B' ' 47' ' ' ILE . 0.2 OUTLIER -68.4 -58.08 4.89 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.719 179.486 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.467 ' HD2' ' CD1' ' B' ' 16' ' ' PHE . 3.3 ttpm? -59.68 -33.88 72.14 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.453 0.644 . . . . 0.0 110.1 178.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.528 ' O ' HG23 ' A' ' 30' ' ' VAL . 19.7 m -75.42 -34.23 60.99 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.556 -177.654 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.55 ' HG3' ' HG ' ' B' ' 51' ' ' LEU . 16.7 tpp180 -57.58 -54.08 50.92 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.49 0.662 . . . . 0.0 109.48 173.53 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.687 HD11 ' HB3' ' A' ' 42' ' ' ALA . 3.1 tm? -58.86 -36.12 74.08 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.443 174.513 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.405 ' C ' ' HD3' ' A' ' 29' ' ' LYS . 1.4 tmtp? -57.96 -42.46 85.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.979 0.418 . . . . 0.0 110.029 176.205 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 26' ' ' THR . 94.9 t -66.74 -34.71 71.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.572 177.407 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.442 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 91.3 t80 -62.58 -39.1 92.63 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.767 175.471 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.562 ' SG ' ' HA ' ' A' ' 39' ' ' LEU . 80.9 m -72.33 -32.06 66.2 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.123 179.537 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.2 -37.09 58.25 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.286 0.565 . . . . 0.0 110.437 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -74.21 -38.6 63.53 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.37 -177.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.427 ' HB3' HD13 ' A' ' 37' ' ' LEU . 42.2 m-80 -94.81 0.48 54.91 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.155 179.102 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 57.56 23.63 9.47 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.055 -175.264 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.427 HD13 ' HB3' ' A' ' 35' ' ' ASN . 1.4 mp -72.95 168.01 19.87 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.042 177.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -90.47 132.95 35.37 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.308 174.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.562 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 0.1 OUTLIER -45.73 -51.58 12.31 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 123.716 0.635 . . . . 0.0 110.683 178.802 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.805 HG23 HD12 ' B' ' 18' ' ' ILE . 10.4 m -59.59 -49.2 78.69 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.643 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.547 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 33.8 tt0 -55.84 -38.37 69.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.113 0.483 . . . . 0.0 110.528 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.687 ' HB3' HD11 ' A' ' 28' ' ' LEU . . . -67.36 -44.61 78.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.747 179.535 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.425 HG21 HD11 ' B' ' 18' ' ' ILE . 1.5 mp -58.21 -46.21 88.7 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.251 0 CA-C-O 120.941 0.4 . . . . 0.0 110.319 175.11 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.484 ' HG2' ' HB2' ' B' ' 20' ' ' MET . 47.8 mt-10 -62.02 -41.95 98.64 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.185 -178.56 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' A' ' 41' ' ' GLN . 10.5 mm-40 -69.0 -34.09 74.72 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 175.64 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.697 ' HB1' ' HA ' ' B' ' 47' ' ' ILE . . . -63.9 -54.91 27.33 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.527 178.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.79 HG23 HD11 ' B' ' 24' ' ' LEU . 20.8 tt -69.08 -24.79 28.55 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.209 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.073 -177.177 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.578 ' HA ' ' HE3' ' A' ' 48' ' ' LYS . 0.6 OUTLIER -74.05 -57.48 3.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.072 178.302 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -62.08 -16.51 52.67 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 176.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.647 ' CD1' ' HA ' ' B' ' 46' ' ' ALA . 56.9 t80 -71.67 -52.55 17.31 Favored 'General case' 0 N--CA 1.439 -0.975 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.231 177.101 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.563 ' HG ' ' HG3' ' B' ' 27' ' ' ARG . 0.2 OUTLIER -58.11 -33.68 69.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.353 177.509 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -77.27 -36.8 54.0 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.693 0.282 . . . . 0.0 110.948 178.567 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -71.63 -15.83 62.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.468 0.651 . . . . 0.0 110.025 178.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -106.11 -75.3 0.63 Allowed 'General case' 0 N--CA 1.435 -1.19 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.09 -176.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -175.29 -60.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.992 -177.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.845 0 CA-C-O 118.751 -1.027 . . . . 0.0 112.267 178.776 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt . . . . . 0 N--CA 1.482 1.146 0 N-CA-C 110.848 -0.056 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -68.41 134.6 50.44 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 174.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -107.35 157.44 17.95 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.374 0.607 . . . . 0.0 111.652 -169.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -137.41 167.87 20.75 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.938 -1.028 . . . . 0.0 109.155 176.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.457 HG22 ' CD1' ' A' ' 19' ' ' TYR . 2.4 t -106.43 162.7 5.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.484 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 3.4 t80 -152.16 123.73 7.84 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.856 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' GLY . . . . . 0.492 ' HA2' ' O ' ' A' ' 16' ' ' PHE . . . -130.06 99.61 0.45 Allowed Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 111.496 -0.642 . . . . 0.0 111.496 -179.506 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.805 HD12 HG23 ' A' ' 40' ' ' THR . 45.4 pt -127.65 171.83 15.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.941 0.4 . . . . 0.0 111.776 -174.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' TYR . . . . . 0.441 ' CD1' HG22 ' A' ' 15' ' ' VAL . 73.5 m-85 -115.82 96.89 5.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.989 176.487 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' MET . . . . . 0.484 ' HB2' ' HG2' ' A' ' 44' ' ' GLU . 21.4 ptm -107.52 163.02 13.42 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.477 -177.41 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.67 156.51 10.78 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.171 0.51 . . . . 0.0 111.216 179.199 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -79.01 -63.45 1.42 Allowed 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.774 -177.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -47.71 -39.86 18.69 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 123.878 0.736 . . . . 0.0 111.691 -175.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' LEU . . . . . 0.79 HD11 HG23 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -68.16 -58.13 4.94 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.716 179.567 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.459 ' HD2' ' CD1' ' A' ' 16' ' ' PHE . 3.3 ttpm? -59.52 -33.79 71.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.52 0.676 . . . . 0.0 110.158 178.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' THR . . . . . 0.514 ' O ' HG23 ' B' ' 30' ' ' VAL . 19.7 m -75.59 -34.29 60.63 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.723 -177.658 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.563 ' HG3' ' HG ' ' A' ' 51' ' ' LEU . 16.9 tpp180 -57.44 -54.35 47.83 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.556 0.693 . . . . 0.0 109.603 173.31 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.66 HD11 ' HB3' ' B' ' 42' ' ' ALA . 3.1 tm? -58.55 -36.2 73.53 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.35 174.449 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.417 ' C ' ' HD3' ' B' ' 29' ' ' LYS . 1.3 tmtp? -58.03 -42.3 85.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.97 0.414 . . . . 0.0 109.998 176.322 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.514 HG23 ' O ' ' B' ' 26' ' ' THR . 92.5 t -66.9 -34.72 71.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.456 0.646 . . . . 0.0 110.479 177.454 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' TYR . . . . . 0.439 ' HB3' ' O ' ' B' ' 28' ' ' LEU . 91.4 t80 -62.65 -39.05 92.68 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.796 175.64 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' CYS . . . . . 0.566 ' SG ' ' HA ' ' B' ' 39' ' ' LEU . 77.6 m -72.17 -32.37 66.78 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.145 179.333 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.87 -37.36 59.0 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.294 0.569 . . . . 0.0 110.394 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -73.73 -38.83 64.65 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.404 -177.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ASN . . . . . 0.428 ' HB3' HD13 ' B' ' 37' ' ' LEU . 41.0 m-80 -94.61 0.26 55.02 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.233 179.27 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 57.46 24.07 9.8 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.514 -0.767 . . . . 0.0 111.076 -175.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.428 HD13 ' HB3' ' B' ' 35' ' ' ASN . 1.4 mp -73.2 167.84 20.35 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.114 177.708 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -90.52 132.7 35.54 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.301 174.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.566 ' HA ' ' SG ' ' B' ' 32' ' ' CYS . 0.1 OUTLIER -45.57 -51.27 12.21 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 123.624 0.578 . . . . 0.0 110.669 179.06 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 40' ' ' THR . . . . . 0.786 HG23 HD12 ' A' ' 18' ' ' ILE . 8.9 m -59.64 -49.42 77.82 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.673 -179.167 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.551 ' O ' ' HG2' ' B' ' 45' ' ' GLU . 33.6 tt0 -55.9 -38.34 70.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.367 -179.497 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.66 ' HB3' HD11 ' B' ' 28' ' ' LEU . . . -67.36 -44.81 78.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.773 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.417 ' O ' HG22 ' B' ' 47' ' ' ILE . 1.5 mp -57.96 -46.18 87.75 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.234 0 CA-C-O 120.903 0.383 . . . . 0.0 110.408 174.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.458 ' HG2' ' HB2' ' A' ' 20' ' ' MET . 47.6 mt-10 -62.19 -41.96 98.84 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.093 -178.399 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.551 ' HG2' ' O ' ' B' ' 41' ' ' GLN . 9.3 mm-40 -69.3 -33.74 73.65 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 175.661 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.709 ' HB1' ' HA ' ' A' ' 47' ' ' ILE . . . -63.88 -54.84 28.47 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.53 178.542 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.776 HG23 HD11 ' A' ' 24' ' ' LEU . 20.9 tt -69.36 -24.46 27.66 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.119 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.003 -176.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.574 ' HA ' ' HE3' ' B' ' 48' ' ' LYS . 0.6 OUTLIER -74.12 -57.47 3.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.292 -0.413 . . . . 0.0 109.893 178.374 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -62.21 -16.66 54.73 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 176.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' TYR . . . . . 0.634 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 56.9 t80 -71.53 -52.7 16.88 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.301 177.147 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.55 ' HG ' ' HG3' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -57.97 -33.51 68.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.345 177.316 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -77.62 -36.63 51.47 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.872 178.668 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -71.8 -15.79 62.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.452 0.644 . . . . 0.0 109.956 178.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -106.06 -74.92 0.64 Allowed 'General case' 0 N--CA 1.436 -1.126 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.188 -176.094 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -175.42 -60.47 0.01 OUTLIER 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.92 -178.142 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.512 -1.16 . . . . 0.0 112.133 179.472 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.0 pttt . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 69.4 -76.71 0.06 Allowed 'General case' 0 N--CA 1.463 0.223 0 O-C-N 123.862 0.726 . . . . 0.0 110.596 179.463 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -108.16 153.95 22.43 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.305 0.574 . . . . 0.0 111.122 -176.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.422 ' O ' ' HA ' ' B' ' 19' ' ' TYR . . . -137.2 169.19 18.19 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.734 177.185 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.414 HG22 ' CD1' ' B' ' 19' ' ' TYR . 2.2 t -110.02 161.14 8.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 179.064 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.582 ' O ' ' HA2' ' B' ' 17' ' ' GLY . 1.6 t80 -148.68 130.28 14.94 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.32 -0.4 . . . . 0.0 109.932 -177.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.59 ' HA2' ' O ' ' B' ' 16' ' ' PHE . . . -134.5 94.31 0.26 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.689 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.693 HD12 HG23 ' B' ' 40' ' ' THR . 43.6 pt -126.17 168.5 18.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.856 0.36 . . . . 0.0 111.83 -174.102 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.421 ' CD1' HG22 ' B' ' 15' ' ' VAL . 65.2 m-85 -109.37 97.35 6.95 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.959 176.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 22.6 ptm -108.59 156.73 19.19 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.264 -177.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -60.67 154.78 20.56 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.214 0.53 . . . . 0.0 112.359 -175.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -74.43 -64.51 1.01 Allowed 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.968 -174.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -49.92 -38.56 36.75 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 123.857 0.723 . . . . 0.0 111.541 -176.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.719 HD23 ' HE3' ' B' ' 48' ' ' LYS . 0.7 OUTLIER -68.91 -56.48 7.76 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.784 -179.836 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.447 ' N ' HD13 ' A' ' 24' ' ' LEU . 3.2 ttpm? -62.63 -30.29 71.25 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 121.751 0.786 . . . . 0.0 109.525 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.501 ' O ' HG23 ' A' ' 30' ' ' VAL . 20.9 m -74.83 -40.2 61.19 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.581 -1.19 . . . . 0.0 111.206 -177.344 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.502 ' HG3' ' HG ' ' B' ' 51' ' ' LEU . 12.3 tpp180 -55.59 -47.33 76.66 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.333 0.587 . . . . 0.0 110.045 173.671 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.653 HD11 ' HB3' ' A' ' 42' ' ' ALA . 3.2 tm? -65.01 -35.61 81.74 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.817 176.607 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.463 ' C ' ' HD3' ' A' ' 29' ' ' LYS . 1.2 tmtp? -57.1 -39.16 74.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.091 0.472 . . . . 0.0 110.008 175.537 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 26' ' ' THR . 57.7 t -68.74 -33.32 58.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.513 0.673 . . . . 0.0 110.819 177.555 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.442 ' HB3' HD22 ' A' ' 28' ' ' LEU . 90.6 t80 -65.79 -37.74 87.11 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.753 175.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.442 ' SG ' ' HA ' ' A' ' 39' ' ' LEU . 74.3 m -73.42 -19.53 60.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.834 177.632 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.39 -39.59 20.48 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.208 0.528 . . . . 0.0 109.947 175.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -69.67 -43.45 72.53 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.499 -178.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.595 ' HB3' HD13 ' A' ' 37' ' ' LEU . 34.1 m-80 -95.92 1.07 52.69 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.299 -179.374 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 55.14 24.36 6.12 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.694 -173.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.595 HD13 ' HB3' ' A' ' 35' ' ' ASN . 3.4 mp -69.71 163.85 24.77 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.417 0.627 . . . . 0.0 111.76 177.57 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -87.09 136.14 33.03 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.295 -0.866 . . . . 0.0 108.954 171.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.442 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 0.2 OUTLIER -45.21 -47.45 12.63 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 123.546 0.529 . . . . 0.0 111.043 179.696 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.721 HG23 HD12 ' B' ' 18' ' ' ILE . 9.6 m -62.25 -49.13 76.94 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.512 -179.196 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.438 ' OE1' ' HG ' ' A' ' 37' ' ' LEU . 0.9 OUTLIER -57.36 -36.19 70.88 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.024 0.44 . . . . 0.0 110.379 -179.352 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.653 ' HB3' HD11 ' A' ' 28' ' ' LEU . . . -69.12 -45.88 69.07 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.92 178.596 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.507 ' O ' HG22 ' A' ' 47' ' ' ILE . 1.5 mp -57.03 -45.58 83.95 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-O 120.718 0.294 . . . . 0.0 110.439 175.756 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.46 ' HA ' HG22 ' A' ' 47' ' ' ILE . 43.3 mt-10 -63.19 -47.2 83.6 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.901 -178.23 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -59.16 -36.99 76.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.826 0.346 . . . . 0.0 110.42 172.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.754 ' HB1' ' HA ' ' B' ' 47' ' ' ILE . . . -63.13 -56.88 13.05 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.586 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.769 ' HA ' ' HB1' ' B' ' 46' ' ' ALA . 19.7 tt -67.8 -27.94 39.74 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.103 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.316 -178.039 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.723 ' HE3' HD23 ' B' ' 24' ' ' LEU . 2.5 tpmt? -69.81 -59.46 2.92 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.407 176.533 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -62.76 -13.93 38.83 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 177.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.688 ' CD1' ' HA ' ' B' ' 46' ' ' ALA . 53.2 t80 -73.29 -54.15 9.09 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.708 179.056 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.5 ' HG ' ' HG3' ' B' ' 27' ' ' ARG . 0.2 OUTLIER -57.51 -37.73 73.46 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.003 179.301 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -78.6 -26.99 45.49 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.249 -179.14 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.402 ' HD2' ' HD2' ' B' ' 53' ' ' LYS . 86.5 tttt -76.51 -18.48 58.7 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.133 0.492 . . . . 0.0 110.162 175.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -108.85 -71.0 0.78 Allowed 'General case' 0 N--CA 1.44 -0.927 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.736 -172.461 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -179.26 -62.09 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.403 -177.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.929 0 CA-C-O 118.718 -1.045 . . . . 0.0 111.827 -176.255 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 65.3 pttt . . . . . 0 N--CA 1.482 1.132 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 70.08 -76.65 0.06 Allowed 'General case' 0 N--CA 1.465 0.288 0 O-C-N 123.884 0.74 . . . . 0.0 110.439 179.193 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -108.57 153.76 22.91 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.241 0.543 . . . . 0.0 111.151 -175.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.415 ' O ' ' HA ' ' A' ' 19' ' ' TYR . . . -136.97 169.2 18.18 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.634 177.548 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.421 HG22 ' CD1' ' A' ' 19' ' ' TYR . 2.2 t -109.72 161.58 7.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 178.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.59 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 1.6 t80 -148.97 130.37 14.74 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 116.231 -0.44 . . . . 0.0 109.849 -177.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' GLY . . . . . 0.582 ' HA2' ' O ' ' A' ' 16' ' ' PHE . . . -134.69 94.29 0.25 Allowed Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 121.079 -0.581 . . . . 0.0 111.69 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.721 HD12 HG23 ' A' ' 40' ' ' THR . 43.9 pt -126.09 168.8 18.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -174.232 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' TYR . . . . . 0.422 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 64.9 m-85 -109.75 97.22 6.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.893 176.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 22.6 ptm -108.6 156.77 19.16 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.339 -177.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -60.78 154.9 20.64 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.213 0.53 . . . . 0.0 112.343 -175.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -74.4 -64.7 0.97 Allowed 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.84 -174.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -49.87 -38.24 34.53 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 123.807 0.692 . . . . 0.0 111.411 -176.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' LEU . . . . . 0.723 HD23 ' HE3' ' A' ' 48' ' ' LYS . 0.7 OUTLIER -69.38 -56.41 7.56 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.715 -179.56 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.442 ' N ' HD13 ' B' ' 24' ' ' LEU . 3.2 ttpm? -62.73 -29.96 71.07 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-O 121.73 0.776 . . . . 0.0 109.534 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' THR . . . . . 0.475 ' O ' HG23 ' B' ' 30' ' ' VAL . 22.1 m -74.92 -40.42 60.87 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.532 -1.213 . . . . 0.0 111.046 -177.37 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.5 ' HG3' ' HG ' ' A' ' 51' ' ' LEU . 12.3 tpp180 -55.72 -47.16 77.36 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.316 0.579 . . . . 0.0 109.983 173.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.633 HD11 ' HB3' ' B' ' 42' ' ' ALA . 3.2 tm? -65.16 -35.36 80.84 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.959 176.725 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.459 ' C ' ' HD3' ' B' ' 29' ' ' LYS . 1.3 tmtp? -57.35 -39.03 75.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.005 0.431 . . . . 0.0 110.034 175.512 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.475 HG23 ' O ' ' B' ' 26' ' ' THR . 58.9 t -68.8 -33.64 60.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.676 0.75 . . . . 0.0 110.713 177.351 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' TYR . . . . . 0.441 ' HB3' HD22 ' B' ' 28' ' ' LEU . 90.3 t80 -65.63 -37.6 87.04 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.664 176.041 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' CYS . . . . . 0.453 ' SG ' ' HA ' ' B' ' 39' ' ' LEU . 80.9 m -73.62 -19.71 60.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.904 177.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.94 -40.24 20.37 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.284 0.564 . . . . 0.0 109.848 175.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -68.9 -43.94 74.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.366 -178.04 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ASN . . . . . 0.617 ' HB3' HD13 ' B' ' 37' ' ' LEU . 35.5 m-80 -95.62 1.04 53.47 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.225 -179.13 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 55.31 23.8 5.93 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.557 -174.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.617 HD13 ' HB3' ' B' ' 35' ' ' ASN . 3.3 mp -69.36 163.83 24.28 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.389 0.614 . . . . 0.0 111.659 177.679 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -86.94 136.63 32.87 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.283 -0.871 . . . . 0.0 108.801 171.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.453 ' HA ' ' SG ' ' B' ' 32' ' ' CYS . 0.2 OUTLIER -45.64 -47.19 14.9 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 123.663 0.602 . . . . 0.0 110.964 179.675 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 40' ' ' THR . . . . . 0.693 HG23 HD12 ' A' ' 18' ' ' ILE . 10.2 m -62.52 -49.11 76.65 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.567 -179.321 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.432 ' OE1' ' HG ' ' B' ' 37' ' ' LEU . 0.9 OUTLIER -57.21 -36.24 70.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.056 0.455 . . . . 0.0 110.548 -179.597 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.633 ' HB3' HD11 ' B' ' 28' ' ' LEU . . . -68.96 -46.14 68.88 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.842 178.672 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.499 ' O ' HG22 ' B' ' 47' ' ' ILE . 1.5 mp -57.09 -45.58 84.23 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.297 0 CA-C-O 120.541 0.21 . . . . 0.0 110.494 175.757 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.443 ' HA ' HG22 ' B' ' 47' ' ' ILE . 43.0 mt-10 -63.06 -46.97 84.98 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 -178.47 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -59.31 -36.74 76.17 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.779 0.324 . . . . 0.0 110.452 172.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.769 ' HB1' ' HA ' ' A' ' 47' ' ' ILE . . . -63.59 -56.77 13.32 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.453 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.754 ' HA ' ' HB1' ' A' ' 46' ' ' ALA . 19.7 tt -67.79 -27.89 39.59 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.033 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.323 -178.207 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.719 ' HE3' HD23 ' A' ' 24' ' ' LEU . 2.5 tpmt? -69.99 -59.29 3.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.442 176.532 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -62.64 -14.09 39.39 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 177.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' TYR . . . . . 0.675 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 53.4 t80 -73.48 -54.32 8.53 Favored 'General case' 0 N--CA 1.439 -1.024 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.621 179.317 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.502 ' HG ' ' HG3' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -57.26 -37.66 72.69 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.07 179.211 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -78.97 -26.72 43.45 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.477 -178.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.402 ' HD2' ' HD2' ' A' ' 53' ' ' LYS . 86.4 tttt -76.61 -18.4 58.64 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.335 0.588 . . . . 0.0 110.202 175.551 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -108.71 -71.22 0.77 Allowed 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.742 -172.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -179.4 -61.93 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.542 -177.016 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.703 -1.054 . . . . 0.0 112.005 -176.278 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.577 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.42 HG22 ' CD1' ' B' ' 19' ' ' TYR . 2.2 t -108.97 162.17 6.9 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 178.445 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.557 ' O ' ' HA2' ' B' ' 17' ' ' GLY . 2.6 t80 -150.77 124.03 8.88 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.066 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.545 ' HA2' ' O ' ' B' ' 16' ' ' PHE . . . -129.81 96.02 0.37 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 121.066 -0.587 . . . . 0.0 111.745 -179.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.724 HD12 HG23 ' B' ' 40' ' ' THR . 35.5 pt -125.12 166.81 20.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.979 0.419 . . . . 0.0 112.054 -174.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.44 ' CD1' HG22 ' B' ' 15' ' ' VAL . 62.2 m-85 -107.63 94.32 5.02 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.073 176.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 23.0 ptm -106.4 161.5 14.52 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.933 -178.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.08 155.85 19.41 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.071 0.462 . . . . 0.0 111.332 -178.074 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -76.77 -63.62 1.31 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.478 -175.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -50.05 -39.13 41.01 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 123.811 0.694 . . . . 0.0 111.922 -175.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.701 HD23 ' HE3' ' B' ' 48' ' ' LYS . 0.5 OUTLIER -70.21 -54.98 10.47 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.715 -179.746 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.433 ' N ' HD13 ' A' ' 24' ' ' LEU . 3.4 ttpm? -62.02 -32.84 73.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.714 0.769 . . . . 0.0 109.845 179.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.489 ' O ' HG23 ' A' ' 30' ' ' VAL . 18.4 m -77.81 -33.93 52.27 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.63 -1.168 . . . . 0.0 110.922 -176.181 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.631 ' HG3' ' HG ' ' B' ' 51' ' ' LEU . 12.3 tpp180 -56.42 -50.06 72.75 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.338 0.59 . . . . 0.0 109.432 171.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.759 ' HG ' HD11 ' B' ' 47' ' ' ILE . 3.3 tm? -62.28 -36.06 80.91 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.685 176.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.429 ' HD3' ' C ' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -58.38 -39.87 80.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.198 0.523 . . . . 0.0 110.033 175.643 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 26' ' ' THR . 96.0 t -71.14 -31.73 45.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.641 177.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.468 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 84.4 t80 -63.79 -38.57 91.59 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.547 173.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.478 ' SG ' ' HA ' ' A' ' 39' ' ' LEU . 76.8 m -73.34 -24.13 60.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.806 178.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.23 -36.77 39.47 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.28 0.562 . . . . 0.0 110.051 176.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -72.38 -44.28 62.76 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.431 -178.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.493 ' HB3' HD13 ' A' ' 37' ' ' LEU . 41.5 m-80 -94.46 1.68 55.76 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.792 0.329 . . . . 0.0 110.518 -179.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.3 m120 56.02 24.43 7.76 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.318 -174.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.493 HD13 ' HB3' ' A' ' 35' ' ' ASN . 1.8 mp -72.25 167.23 20.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.466 178.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -87.73 135.72 33.26 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.327 172.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.478 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 0.2 OUTLIER -45.53 -52.04 10.98 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 123.588 0.555 . . . . 0.0 110.864 177.612 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.732 HG23 HD12 ' B' ' 18' ' ' ILE . 3.9 m -59.41 -49.54 77.4 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.521 -179.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.458 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 22.9 tt0 -55.44 -38.05 68.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.66 -179.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.752 ' HB3' HD11 ' A' ' 28' ' ' LEU . . . -69.95 -44.37 69.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.17 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.5 mp -57.72 -46.13 86.8 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.161 0 CA-C-O 120.997 0.427 . . . . 0.0 110.318 175.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.465 ' HA ' HG22 ' A' ' 47' ' ' ILE . 48.0 mt-10 -62.93 -43.47 98.7 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.81 -178.293 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 41' ' ' GLN . 31.5 mm-40 -63.45 -39.02 93.35 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 175.035 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.812 ' HB1' ' HA ' ' B' ' 47' ' ' ILE . . . -62.69 -54.68 35.66 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.653 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.819 ' HA ' ' HB1' ' B' ' 46' ' ' ALA . 6.3 tt -70.57 -26.12 27.98 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.112 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.856 -176.087 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.946 ' HE2' HE22 ' A' ' 52' ' ' GLN . 1.4 tpmt? -68.95 -55.94 9.39 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.496 177.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -70.91 -9.78 58.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.717 -177.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.582 ' CD1' ' HA ' ' B' ' 46' ' ' ALA . 58.8 t80 -80.3 -46.49 16.07 Favored 'General case' 0 N--CA 1.438 -1.049 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.233 178.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.644 ' HG ' ' HG3' ' B' ' 27' ' ' ARG . 0.1 OUTLIER -61.22 -40.44 94.0 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.584 177.65 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.946 HE22 ' HE2' ' A' ' 48' ' ' LYS . 1.9 mp0 . . . . . 0 C--N 1.321 -0.655 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.084 -177.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.702 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.44 HG22 ' CD1' ' A' ' 19' ' ' TYR . 2.3 t -109.45 161.87 7.52 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 178.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . 0.545 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 2.7 t80 -150.6 124.28 9.13 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.028 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . 0.557 ' HA2' ' O ' ' A' ' 16' ' ' PHE . . . -130.0 95.81 0.36 Allowed Glycine 0 N--CA 1.45 -0.37 0 N-CA-C 111.649 -0.58 . . . . 0.0 111.649 -179.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.732 HD12 HG23 ' A' ' 40' ' ' THR . 36.0 pt -124.94 166.46 20.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.906 0.384 . . . . 0.0 111.971 -174.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . 0.42 ' CD1' HG22 ' A' ' 15' ' ' VAL . 62.0 m-85 -107.32 94.45 5.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.792 176.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 23.2 ptm -106.44 161.41 14.62 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.86 -178.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.97 156.14 18.35 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.256 0.55 . . . . 0.0 111.482 -178.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -77.17 -63.46 1.36 Allowed 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.499 -175.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -49.89 -39.74 40.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 123.924 0.765 . . . . 0.0 111.823 -175.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . 0.667 HD21 HG23 ' A' ' 47' ' ' ILE . 0.6 OUTLIER -69.62 -55.41 10.13 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.763 -179.821 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.441 ' N ' HD13 ' B' ' 24' ' ' LEU . 3.4 ttpm? -61.9 -32.69 73.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.832 0.825 . . . . 0.0 109.821 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . 0.487 ' O ' HG23 ' B' ' 30' ' ' VAL . 19.0 m -78.06 -33.84 50.71 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.674 -1.148 . . . . 0.0 111.094 -176.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.644 ' HG3' ' HG ' ' A' ' 51' ' ' LEU . 12.3 tpp180 -56.29 -49.88 73.01 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 171.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.752 HD11 ' HB3' ' B' ' 42' ' ' ALA . 3.3 tm? -62.47 -36.13 81.5 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.615 176.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.435 ' HD3' ' C ' ' B' ' 29' ' ' LYS . 0.8 OUTLIER -58.24 -40.08 80.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.304 0.573 . . . . 0.0 110.02 175.693 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.487 HG23 ' O ' ' B' ' 26' ' ' THR . 95.0 t -71.06 -31.48 45.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.536 0.684 . . . . 0.0 110.769 177.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' TYR . . . . . 0.466 ' HB3' ' O ' ' B' ' 28' ' ' LEU . 84.6 t80 -64.13 -38.4 90.92 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.586 173.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' CYS . . . . . 0.49 ' SG ' ' HA ' ' B' ' 39' ' ' LEU . 77.0 m -73.17 -24.27 60.53 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.84 177.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.24 -36.8 39.39 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.536 0.684 . . . . 0.0 109.875 177.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -72.45 -44.13 62.8 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.495 -178.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . 0.49 ' HB3' HD13 ' B' ' 37' ' ' LEU . 41.2 m-80 -94.54 1.44 55.67 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.5 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 8.1 m120 56.04 25.02 8.38 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.18 -174.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.49 HD13 ' HB3' ' B' ' 35' ' ' ASN . 1.7 mp -72.86 167.04 21.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.425 178.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -87.75 135.45 33.37 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.128 172.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.49 ' HA ' ' SG ' ' B' ' 32' ' ' CYS . 0.2 OUTLIER -45.09 -52.1 9.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 123.632 0.582 . . . . 0.0 111.13 177.214 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . 0.724 HG23 HD12 ' A' ' 18' ' ' ILE . 4.1 m -59.33 -49.59 77.22 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.289 -179.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.466 ' O ' ' HG2' ' B' ' 45' ' ' GLU . 22.9 tt0 -55.72 -37.75 68.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.727 -178.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.752 ' HB3' HD11 ' B' ' 28' ' ' LEU . . . -70.12 -44.05 69.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.242 179.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 1.5 mp -57.84 -46.49 87.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.968 0.413 . . . . 0.0 110.277 175.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.46 ' HA ' HG22 ' B' ' 47' ' ' ILE . 47.8 mt-10 -62.46 -43.59 98.45 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.951 -178.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' B' ' 41' ' ' GLN . 30.3 mm-40 -63.4 -39.15 93.73 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 174.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.819 ' HB1' ' HA ' ' A' ' 47' ' ' ILE . . . -62.67 -54.76 34.47 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.665 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.812 ' HA ' ' HB1' ' A' ' 46' ' ' ALA . 6.3 tt -70.3 -26.0 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.099 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.889 -176.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.946 ' HE2' HE22 ' B' ' 52' ' ' GLN . 1.4 tpmt? -69.2 -55.72 9.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.962 0.41 . . . . 0.0 110.503 177.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -71.01 -9.92 58.86 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.61 -177.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' TYR . . . . . 0.572 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 59.2 t80 -80.11 -46.54 16.28 Favored 'General case' 0 N--CA 1.439 -1.014 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.326 178.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.631 ' HG ' ' HG3' ' A' ' 27' ' ' ARG . 0.1 OUTLIER -61.25 -40.4 93.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.511 177.661 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.946 HE22 ' HE2' ' B' ' 48' ' ' LYS . 1.8 mp0 . . . . . 0 C--N 1.32 -0.675 0 C-N-CA 120.516 -0.473 . . . . 0.0 111.182 -177.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.644 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.403 HG22 ' CD1' ' B' ' 19' ' ' TYR . 2.4 t -104.78 161.24 4.88 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.979 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.567 ' O ' ' HA2' ' B' ' 17' ' ' GLY . 3.3 t80 -150.98 122.01 7.67 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.63 -179.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.559 ' HA2' ' O ' ' B' ' 16' ' ' PHE . . . -130.36 94.53 0.33 Allowed Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 111.631 -0.587 . . . . 0.0 111.631 -178.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.709 HD12 HG23 ' B' ' 40' ' ' THR . 43.0 pt -124.26 172.5 11.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.956 0.408 . . . . 0.0 111.618 -173.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.422 ' CD1' HG22 ' B' ' 15' ' ' VAL . 68.4 m-85 -115.95 98.55 6.71 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.975 178.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.432 ' HB2' ' HG2' ' B' ' 44' ' ' GLU . 21.6 ptm -110.2 163.88 13.19 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.354 -175.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -62.94 155.49 27.16 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.075 0.464 . . . . 0.0 111.647 -178.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -75.15 -66.21 0.79 Allowed 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.52 -178.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -48.32 -31.77 6.49 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 123.648 0.592 . . . . 0.0 112.135 -175.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.666 HD21 HG23 ' B' ' 47' ' ' ILE . 0.6 OUTLIER -78.56 -55.37 5.25 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.767 -179.67 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -62.19 -33.38 74.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.81 0.814 . . . . 0.0 109.805 178.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.494 ' O ' HG23 ' A' ' 30' ' ' VAL . 54.6 m -77.4 -33.47 55.04 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.625 -1.17 . . . . 0.0 110.361 -176.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.727 ' HG3' ' HG ' ' B' ' 51' ' ' LEU . 17.8 tpp180 -54.08 -53.25 55.77 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.767 0.794 . . . . 0.0 109.38 171.206 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.719 ' HG ' HD11 ' B' ' 47' ' ' ILE . 3.2 tm? -61.7 -36.98 82.47 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.665 -1.152 . . . . 0.0 111.425 175.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.438 ' HD3' ' C ' ' A' ' 29' ' ' LYS . 13.1 tmtt? -55.64 -43.36 76.16 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.092 0.472 . . . . 0.0 110.268 176.168 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 26' ' ' THR . 91.2 t -67.0 -33.32 62.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.598 178.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.448 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 91.3 t80 -64.45 -38.73 92.04 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.763 175.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.434 ' SG ' ' HA ' ' A' ' 39' ' ' LEU . 77.3 m -75.1 -26.32 59.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.28 179.076 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.88 -37.3 40.54 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.284 0.564 . . . . 0.0 110.277 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -78.25 -38.4 42.97 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.632 -176.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.501 ' HB3' HD13 ' A' ' 37' ' ' LEU . 44.0 m-80 -94.63 0.4 55.11 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.863 0.363 . . . . 0.0 110.494 178.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.1 m120 58.2 23.27 10.08 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.765 -174.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.538 ' HG ' ' NE2' ' A' ' 41' ' ' GLN . 1.9 mp -73.11 165.7 24.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.195 179.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -89.13 133.08 34.53 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.311 175.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.495 HD12 ' CZ ' ' B' ' 16' ' ' PHE . 0.1 OUTLIER -47.65 -51.52 21.23 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 123.578 0.549 . . . . 0.0 110.798 177.733 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.726 HG23 HD12 ' B' ' 18' ' ' ILE . 14.5 m -61.65 -48.61 80.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.292 -179.186 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.538 ' NE2' ' HG ' ' A' ' 37' ' ' LEU . 24.8 tt0 -54.28 -40.93 68.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.64 178.263 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.71 ' HB3' HD11 ' A' ' 28' ' ' LEU . . . -66.48 -44.66 82.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.954 -179.231 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.486 HG21 HD11 ' B' ' 18' ' ' ILE . 1.5 mp -58.74 -46.56 90.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.902 0.382 . . . . 0.0 110.602 175.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.455 ' HG2' ' HB2' ' B' ' 20' ' ' MET . 45.7 mt-10 -62.26 -44.27 96.92 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.771 -179.079 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -64.41 -38.38 90.84 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.112 0.482 . . . . 0.0 109.807 175.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.784 ' HB1' ' HA ' ' B' ' 47' ' ' ILE . . . -61.86 -54.42 42.26 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.801 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.799 ' HA ' ' HB1' ' B' ' 46' ' ' ALA . 8.2 tt -70.77 -24.51 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.199 0 CA-C-N 115.054 -0.975 . . . . 0.0 110.608 -176.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.687 ' HE3' HD23 ' B' ' 24' ' ' LEU . 2.3 tpmt? -68.28 -59.89 2.86 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.572 176.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -63.69 -17.11 62.63 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.045 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.631 ' CD1' ' HA ' ' B' ' 46' ' ' ALA . 56.8 t80 -74.18 -46.92 39.09 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.321 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.721 ' HG ' ' HG3' ' B' ' 27' ' ' ARG . 0.2 OUTLIER -62.83 -39.09 93.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.716 176.292 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.435 HE22 ' HE2' ' A' ' 48' ' ' LYS . 2.1 mp0 . . . . . 0 C--N 1.323 -0.585 0 CA-C-O 120.755 0.312 . . . . 0.0 111.447 -177.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.683 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.422 HG22 ' CD1' ' A' ' 19' ' ' TYR . 2.4 t -104.11 161.59 4.52 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . 0.559 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 3.3 t80 -151.26 122.28 7.66 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . 0.567 ' HA2' ' O ' ' A' ' 16' ' ' PHE . . . -130.62 95.04 0.32 Allowed Glycine 0 N--CA 1.451 -0.358 0 N-CA-C 111.534 -0.626 . . . . 0.0 111.534 -178.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.726 HD12 HG23 ' A' ' 40' ' ' THR . 43.1 pt -124.34 172.87 11.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.81 0.338 . . . . 0.0 111.666 -174.038 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . 0.403 ' CD1' HG22 ' A' ' 15' ' ' VAL . 68.2 m-85 -116.37 98.04 6.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.079 178.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' MET . . . . . 0.455 ' HB2' ' HG2' ' A' ' 44' ' ' GLU . 21.5 ptm -109.63 164.08 12.87 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.38 -175.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -62.85 155.54 26.71 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.015 0.436 . . . . 0.0 111.721 -178.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -75.33 -66.51 0.76 Allowed 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.416 -178.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -48.19 -31.24 5.49 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 123.649 0.593 . . . . 0.0 112.241 -175.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . 0.687 HD23 ' HE3' ' A' ' 48' ' ' LYS . 0.6 OUTLIER -79.13 -55.54 5.03 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.732 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -61.8 -33.83 74.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.74 0.781 . . . . 0.0 109.69 178.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . 0.489 ' O ' HG23 ' B' ' 30' ' ' VAL . 53.6 m -76.92 -33.37 57.74 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.632 -1.167 . . . . 0.0 110.419 -176.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.721 ' HG3' ' HG ' ' A' ' 51' ' ' LEU . 17.4 tpp180 -54.31 -53.17 57.42 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.731 0.777 . . . . 0.0 109.214 171.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.715 ' HG ' HD11 ' A' ' 47' ' ' ILE . 3.2 tm? -61.72 -36.97 82.49 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.631 -1.168 . . . . 0.0 111.395 175.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.451 ' HD3' ' C ' ' B' ' 29' ' ' LYS . 13.1 tmtt? -55.67 -43.28 76.18 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.141 0.496 . . . . 0.0 110.288 176.063 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.489 HG23 ' O ' ' B' ' 26' ' ' THR . 89.5 t -66.94 -33.27 62.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.75 178.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' TYR . . . . . 0.455 ' HB3' ' O ' ' B' ' 28' ' ' LEU . 91.2 t80 -64.52 -38.98 92.88 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.629 175.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' CYS . . . . . 0.436 ' SG ' ' HA ' ' B' ' 39' ' ' LEU . 77.6 m -75.18 -26.05 58.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.315 179.205 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.07 -37.52 38.67 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.383 0.611 . . . . 0.0 110.194 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -77.82 -38.46 46.28 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.597 -176.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . 0.484 ' HB3' HD13 ' B' ' 37' ' ' LEU . 44.2 m-80 -94.62 0.42 55.12 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.43 178.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 16.5 m120 58.23 23.13 9.97 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.893 -174.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.529 ' HG ' ' NE2' ' B' ' 41' ' ' GLN . 1.9 mp -72.98 165.64 24.6 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.258 179.181 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -89.32 132.66 34.83 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.337 176.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.496 HD12 ' CZ ' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -47.34 -51.51 19.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 123.598 0.561 . . . . 0.0 110.743 177.895 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . 0.709 HG23 HD12 ' A' ' 18' ' ' ILE . 11.6 m -61.59 -48.82 79.19 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.286 -179.08 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.529 ' NE2' ' HG ' ' B' ' 37' ' ' LEU . 24.7 tt0 -54.25 -40.76 68.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.461 178.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.705 ' HB3' HD11 ' B' ' 28' ' ' LEU . . . -66.58 -44.69 81.55 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.985 -179.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.489 HG21 HD11 ' A' ' 18' ' ' ILE . 1.5 mp -58.8 -46.61 90.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.83 0.348 . . . . 0.0 110.459 175.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.432 ' HG2' ' HB2' ' A' ' 20' ' ' MET . 45.2 mt-10 -62.23 -43.81 97.98 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.896 -179.034 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -64.73 -38.45 91.03 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.16 0.505 . . . . 0.0 109.794 174.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.799 ' HB1' ' HA ' ' A' ' 47' ' ' ILE . . . -61.81 -54.43 42.36 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.857 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.784 ' HA ' ' HB1' ' A' ' 46' ' ' ALA . 8.2 tt -70.75 -24.27 24.82 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.216 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.626 -176.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.659 ' HE3' HD23 ' A' ' 24' ' ' LEU . 2.3 tpmt? -68.54 -59.74 2.92 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.524 176.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.91 -16.89 62.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.948 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' TYR . . . . . 0.62 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 56.5 t80 -74.39 -46.82 37.86 Favored 'General case' 0 N--CA 1.438 -1.04 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.305 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.727 ' HG ' ' HG3' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -62.77 -39.17 93.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.706 176.365 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.452 HE22 ' HE2' ' B' ' 48' ' ' LYS . 2.1 mp0 . . . . . 0 C--N 1.324 -0.541 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.616 -177.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.442 ' O ' ' HA ' ' B' ' 19' ' ' TYR . . . . . . . . 0 N--CA 1.446 -0.651 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.434 HG22 ' CD1' ' B' ' 19' ' ' TYR . 2.1 t -110.81 158.87 11.1 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.534 ' O ' ' HA2' ' B' ' 17' ' ' GLY . 3.3 t80 -151.38 118.48 5.9 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 -178.211 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.553 ' HA2' ' O ' ' B' ' 16' ' ' PHE . . . -125.54 96.56 0.5 Allowed Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 111.463 -0.655 . . . . 0.0 111.463 -178.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.744 HD12 HG23 ' B' ' 40' ' ' THR . 35.9 pt -123.72 166.78 18.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.967 0.413 . . . . 0.0 111.875 -174.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.441 ' HA ' ' O ' ' B' ' 14' ' ' ALA . 66.6 m-85 -106.61 95.67 5.91 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.072 175.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.536 ' HB2' ' HG2' ' B' ' 44' ' ' GLU . 23.8 ptm -107.54 159.91 16.07 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.001 -178.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.73 155.62 9.83 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.204 0.526 . . . . 0.0 111.207 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -79.93 -61.27 2.04 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.886 -177.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -46.84 -37.73 9.18 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.112 0.882 . . . . 0.0 112.0 -176.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.699 HD11 ' CG2' ' B' ' 47' ' ' ILE . 0.5 OUTLIER -76.82 -53.18 8.25 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.852 -178.503 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.438 ' HD2' ' CD1' ' B' ' 16' ' ' PHE . 3.5 ttpm? -60.29 -33.19 72.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.669 0.747 . . . . 0.0 109.586 177.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.518 ' O ' HG23 ' A' ' 30' ' ' VAL . 32.3 m -75.5 -34.68 60.86 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.634 -1.167 . . . . 0.0 110.705 -178.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.629 ' HG3' ' HG ' ' B' ' 51' ' ' LEU . 15.6 tpp180 -56.65 -50.59 71.61 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.425 0.631 . . . . 0.0 109.765 172.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.751 HD11 ' HB3' ' A' ' 42' ' ' ALA . 3.2 tm? -62.46 -34.65 77.24 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.87 175.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.459 ' HD3' ' C ' ' A' ' 29' ' ' LYS . 1.1 tmtp? -57.77 -40.48 79.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.188 0.518 . . . . 0.0 109.96 175.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 26' ' ' THR . 96.6 t -67.31 -33.44 62.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.611 0.72 . . . . 0.0 110.731 177.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.444 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 78.3 t80 -65.52 -39.05 91.35 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.846 175.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.514 ' SG ' ' HA ' ' A' ' 39' ' ' LEU . 76.9 m -74.4 -22.9 58.94 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.916 179.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.32 -37.94 27.55 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.339 0.59 . . . . 0.0 110.176 176.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.4 ttmp? -71.01 -43.45 67.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.25 -178.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.636 ' HB3' HD13 ' A' ' 37' ' ' LEU . 34.6 m-80 -94.74 0.65 55.15 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.315 -179.111 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 55.88 25.05 8.13 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.335 -173.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.636 HD13 ' HB3' ' A' ' 35' ' ' ASN . 2.3 mp -74.62 166.34 23.73 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.301 0.572 . . . . 0.0 111.515 179.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -84.57 134.63 34.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.611 174.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.514 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 0.1 OUTLIER -48.37 -50.28 31.24 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 123.605 0.566 . . . . 0.0 110.809 177.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.76 HG23 HD12 ' B' ' 18' ' ' ILE . 11.4 m -63.16 -48.66 77.47 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.342 -178.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.484 ' NE2' ' HG ' ' A' ' 37' ' ' LEU . 18.6 tt0 -53.56 -40.71 65.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.198 179.037 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.751 ' HB3' HD11 ' A' ' 28' ' ' LEU . . . -66.27 -45.88 78.97 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.125 -179.388 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.5 ' O ' HG22 ' A' ' 47' ' ' ILE . 1.5 mp -57.03 -47.03 84.26 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.204 0 CA-C-O 120.796 0.331 . . . . 0.0 110.557 176.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.522 ' HG2' ' HB2' ' B' ' 20' ' ' MET . 43.6 mt-10 -62.1 -44.87 95.72 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.097 -177.21 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 41' ' ' GLN . 7.1 mm-40 -68.33 -30.93 70.01 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 176.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.796 ' HB1' ' HA ' ' B' ' 47' ' ' ILE . . . -65.19 -56.87 10.39 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.523 177.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.806 ' HA ' ' HB1' ' B' ' 46' ' ' ALA . 17.2 tt -65.31 -29.68 47.95 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.148 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.956 -177.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.494 ' HE3' HD23 ' B' ' 24' ' ' LEU . 4.4 tppp? -66.51 -57.61 6.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.056 177.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -69.12 -11.0 60.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.763 -178.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.657 ' CD1' ' HA ' ' B' ' 46' ' ' ALA . 67.0 t80 -76.74 -46.26 26.01 Favored 'General case' 0 N--CA 1.439 -0.981 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.277 176.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.616 ' HG ' ' HG3' ' B' ' 27' ' ' ARG . 0.2 OUTLIER -61.77 -38.38 87.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.251 176.704 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.318 -0.772 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.797 -178.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.441 ' O ' ' HA ' ' A' ' 19' ' ' TYR . . . . . . . . 0 N--CA 1.446 -0.652 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.439 HG22 ' CD1' ' A' ' 19' ' ' TYR . 2.0 t -110.63 159.04 10.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 178.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . 0.553 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 3.5 t80 -151.35 118.47 5.91 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -178.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . 0.534 ' HA2' ' O ' ' A' ' 16' ' ' PHE . . . -125.19 96.77 0.51 Allowed Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 111.517 -0.633 . . . . 0.0 111.517 -179.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.76 HD12 HG23 ' A' ' 40' ' ' THR . 37.1 pt -123.85 166.22 19.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.99 0.424 . . . . 0.0 111.944 -174.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . 0.442 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 66.2 m-85 -106.35 95.46 5.78 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.949 175.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' MET . . . . . 0.522 ' HB2' ' HG2' ' A' ' 44' ' ' GLU . 24.0 ptm -107.4 160.12 15.88 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.918 -178.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.13 155.72 10.74 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 121.214 0.53 . . . . 0.0 111.24 -179.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -79.92 -61.53 1.96 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.876 -177.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -46.58 -37.56 8.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.105 0.878 . . . . 0.0 112.03 -176.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . 0.673 HD11 ' CG2' ' A' ' 47' ' ' ILE . 0.5 OUTLIER -76.84 -53.57 7.73 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.87 -178.643 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.436 ' N ' HD13 ' B' ' 24' ' ' LEU . 3.5 ttpm? -59.99 -33.26 71.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.861 0.838 . . . . 0.0 109.698 177.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . 0.497 ' O ' HG23 ' B' ' 30' ' ' VAL . 41.9 m -75.28 -34.73 61.36 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.435 -1.257 . . . . 0.0 110.829 -178.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.616 ' HG3' ' HG ' ' A' ' 51' ' ' LEU . 15.5 tpp180 -56.8 -50.42 72.4 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.396 0.617 . . . . 0.0 109.783 172.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.748 HD11 ' HB3' ' B' ' 42' ' ' ALA . 3.2 tm? -62.37 -34.78 77.36 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.947 175.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.455 ' HD3' ' C ' ' B' ' 29' ' ' LYS . 1.1 tmtp? -57.83 -40.59 80.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.175 0.512 . . . . 0.0 109.916 175.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.497 HG23 ' O ' ' B' ' 26' ' ' THR . 95.8 t -67.04 -33.77 65.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.724 0.773 . . . . 0.0 110.761 177.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' TYR . . . . . 0.448 ' HB3' ' O ' ' B' ' 28' ' ' LEU . 78.2 t80 -65.44 -38.96 91.4 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.862 175.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' CYS . . . . . 0.522 ' SG ' ' HA ' ' B' ' 39' ' ' LEU . 76.9 m -74.43 -22.99 58.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.954 179.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.1 -38.66 26.91 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.27 0.557 . . . . 0.0 110.118 176.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 4.4 ttmp? -70.22 -43.45 70.61 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.302 -178.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . 0.639 ' HB3' HD13 ' B' ' 37' ' ' LEU . 33.8 m-80 -94.8 0.69 55.1 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.287 -178.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 55.9 25.28 8.42 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.185 -173.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.639 HD13 ' HB3' ' B' ' 35' ' ' ASN . 2.4 mp -74.8 166.07 24.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.52 179.431 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -84.16 134.71 34.56 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.611 174.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.522 ' HA ' ' SG ' ' B' ' 32' ' ' CYS . 0.1 OUTLIER -48.54 -50.63 31.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 123.559 0.537 . . . . 0.0 110.743 177.814 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . 0.744 HG23 HD12 ' A' ' 18' ' ' ILE . 12.9 m -62.66 -48.73 78.06 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.412 -178.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.49 ' NE2' ' HG ' ' B' ' 37' ' ' LEU . 18.4 tt0 -53.41 -40.77 65.35 Favored 'General case' 0 N--CA 1.456 -0.13 0 O-C-N 123.444 0.465 . . . . 0.0 110.437 178.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.748 ' HB3' HD11 ' B' ' 28' ' ' LEU . . . -66.03 -46.11 79.07 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.084 -179.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.514 ' O ' HG22 ' B' ' 47' ' ' ILE . 1.5 mp -56.99 -47.07 84.05 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.182 0 O-C-N 123.114 0.259 . . . . 0.0 110.555 176.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.536 ' HG2' ' HB2' ' A' ' 20' ' ' MET . 43.3 mt-10 -62.01 -44.83 95.88 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.239 -177.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' B' ' 41' ' ' GLN . 7.1 mm-40 -68.4 -30.92 69.95 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 176.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.806 ' HB1' ' HA ' ' A' ' 47' ' ' ILE . . . -65.1 -56.88 10.43 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 121.432 0.634 . . . . 0.0 110.553 177.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.796 ' HA ' ' HB1' ' A' ' 46' ' ' ALA . 17.4 tt -65.31 -29.53 47.5 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.139 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.186 -178.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.503 ' HE3' HD23 ' A' ' 24' ' ' LEU . 4.4 tppp? -66.71 -57.47 7.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.034 177.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -69.35 -10.84 59.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.665 -178.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' TYR . . . . . 0.655 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 66.9 t80 -76.7 -46.31 26.06 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.284 176.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.629 ' HG ' ' HG3' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -61.78 -38.49 88.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.14 176.871 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.317 -0.82 0 CA-C-O 121.173 0.511 . . . . 0.0 110.738 -178.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.594 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.473 HG22 ' CD1' ' B' ' 19' ' ' TYR . 2.1 t -108.36 160.89 7.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 179.15 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.536 ' O ' ' HA2' ' B' ' 17' ' ' GLY . 1.4 t80 -149.39 124.47 10.06 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -179.115 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.522 ' HA2' ' O ' ' B' ' 16' ' ' PHE . . . -128.67 93.52 0.35 Allowed Glycine 0 N--CA 1.449 -0.49 0 N-CA-C 111.329 -0.708 . . . . 0.0 111.329 179.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.79 HD12 HG23 ' B' ' 40' ' ' THR . 43.6 pt -123.75 165.83 19.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.969 0.414 . . . . 0.0 111.74 -174.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.465 ' CD1' HG22 ' B' ' 15' ' ' VAL . 74.2 m-85 -108.89 93.29 4.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.888 175.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.503 ' HB2' ' HG2' ' B' ' 44' ' ' GLU . 24.3 ptm -105.27 157.49 17.27 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.813 -177.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.98 150.09 14.16 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 121.479 0.657 . . . . 0.0 111.185 -179.233 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.407 ' HB2' ' NZ ' ' A' ' 22' ' ' LYS . 3.6 ttmp? -78.88 -59.67 2.69 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.992 -174.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -48.89 -36.12 16.39 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 123.93 0.769 . . . . 0.0 111.911 -177.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.686 HD11 HG23 ' B' ' 47' ' ' ILE . 0.2 OUTLIER -72.93 -57.88 3.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.449 178.634 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.464 ' HD2' ' CD1' ' B' ' 16' ' ' PHE . 3.0 ttpm? -58.31 -33.94 70.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.661 0.743 . . . . 0.0 109.959 178.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.537 ' O ' HG23 ' A' ' 30' ' ' VAL . 45.9 m -77.38 -30.83 53.89 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.722 -177.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.6 ' HG3' ' HG ' ' B' ' 51' ' ' LEU . 18.4 tpp180 -58.72 -54.01 51.91 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.595 0.712 . . . . 0.0 109.307 172.001 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.75 HD11 ' HB3' ' A' ' 42' ' ' ALA . 3.1 tm? -58.3 -36.34 73.2 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 114.842 -1.072 . . . . 0.0 111.378 174.019 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.445 ' HD3' ' C ' ' A' ' 29' ' ' LYS . 1.3 tmtp? -56.8 -42.68 79.93 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.092 0.472 . . . . 0.0 110.018 176.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 26' ' ' THR . 74.5 t -66.4 -33.54 64.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.389 0.614 . . . . 0.0 110.517 177.349 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.459 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 88.4 t80 -64.58 -37.55 87.93 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.333 -0.848 . . . . 0.0 109.59 175.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.497 ' SG ' ' HA ' ' A' ' 39' ' ' LEU . 81.3 m -74.88 -24.74 58.6 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.035 177.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.23 -33.57 32.76 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.171 0.51 . . . . 0.0 110.299 178.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -75.24 -43.58 50.85 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.42 -179.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.619 ' HB3' HD13 ' A' ' 37' ' ' LEU . 43.1 m-80 -94.34 1.61 55.87 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.358 -179.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 56.0 23.83 7.12 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.122 -174.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.619 HD13 ' HB3' ' A' ' 35' ' ' ASN . 2.5 mp -72.75 164.28 26.79 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.028 178.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.485 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . 47.9 mt-30 -85.03 134.65 34.21 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.268 175.189 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.497 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 0.2 OUTLIER -46.23 -52.78 11.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 123.493 0.495 . . . . 0.0 110.938 177.811 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.817 HG23 HD12 ' B' ' 18' ' ' ILE . 6.4 m -58.8 -49.1 78.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.476 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.485 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 17.9 tt0 -54.21 -39.43 66.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.699 -179.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.75 ' HB3' HD11 ' A' ' 28' ' ' LEU . . . -70.86 -42.75 69.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.991 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.5 mp -57.88 -45.83 87.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.965 0.412 . . . . 0.0 110.388 175.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.472 ' HG2' ' HB2' ' B' ' 20' ' ' MET . 46.0 mt-10 -63.29 -44.71 94.28 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.944 -178.415 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -65.35 -35.19 80.21 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 175.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.79 ' HB1' ' HA ' ' B' ' 47' ' ' ILE . . . -63.67 -55.14 25.73 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.608 178.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.819 ' HA ' ' HB1' ' B' ' 46' ' ' ALA . 7.0 tt -70.3 -25.11 26.61 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.18 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.985 -176.027 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.612 ' HE2' HE22 ' A' ' 52' ' ' GLN . 0.6 OUTLIER -71.83 -55.03 8.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.941 178.285 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -69.24 -11.7 61.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.553 -179.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.604 ' CD1' ' HA ' ' B' ' 46' ' ' ALA . 62.6 t80 -77.32 -47.61 19.54 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.785 176.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.609 ' HG ' ' HG3' ' B' ' 27' ' ' ARG . 0.2 OUTLIER -59.68 -39.16 83.59 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.041 175.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.612 HE22 ' HE2' ' A' ' 48' ' ' LYS . 1.2 mp0 . . . . . 0 C--N 1.325 -0.497 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.246 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.557 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.465 HG22 ' CD1' ' A' ' 19' ' ' TYR . 2.1 t -108.07 160.4 7.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.113 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . 0.522 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 1.4 t80 -148.97 124.11 10.12 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 -179.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . 0.536 ' HA2' ' O ' ' A' ' 16' ' ' PHE . . . -128.46 93.82 0.36 Allowed Glycine 0 N--CA 1.449 -0.443 0 N-CA-C 111.522 -0.631 . . . . 0.0 111.522 179.297 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.817 HD12 HG23 ' A' ' 40' ' ' THR . 43.7 pt -123.92 165.82 19.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.892 0.377 . . . . 0.0 111.824 -174.265 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . 0.473 ' CD1' HG22 ' A' ' 15' ' ' VAL . 74.0 m-85 -109.07 93.22 4.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.875 175.197 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' MET . . . . . 0.472 ' HB2' ' HG2' ' A' ' 44' ' ' GLU . 24.5 ptm -105.1 157.51 17.2 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.848 -177.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.04 150.11 14.3 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.382 0.611 . . . . 0.0 111.29 -179.338 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -79.0 -59.64 2.7 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.018 -174.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -48.56 -36.26 15.1 Favored 'General case' 0 C--N 1.322 -0.605 0 O-C-N 123.946 0.779 . . . . 0.0 111.85 -177.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . 0.663 HD11 HG23 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -73.06 -57.86 3.73 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.537 178.771 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.467 ' HD2' ' CD1' ' A' ' 16' ' ' PHE . 3.0 ttpm? -58.43 -33.74 70.04 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.641 0.734 . . . . 0.0 110.008 178.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . 0.53 ' O ' HG23 ' B' ' 30' ' ' VAL . 44.7 m -77.26 -30.98 54.65 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.867 -1.061 . . . . 0.0 110.658 -177.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.609 ' HG3' ' HG ' ' A' ' 51' ' ' LEU . 18.4 tpp180 -58.79 -54.04 51.55 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.508 0.671 . . . . 0.0 109.241 172.241 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.728 HD11 ' HB3' ' B' ' 42' ' ' ALA . 3.1 tm? -58.28 -36.41 73.24 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.419 174.036 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.453 ' HD3' ' C ' ' B' ' 29' ' ' LYS . 1.3 tmtp? -56.7 -42.61 79.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.036 0.446 . . . . 0.0 110.128 176.261 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.53 HG23 ' O ' ' B' ' 26' ' ' THR . 76.9 t -66.41 -33.52 64.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.496 0.665 . . . . 0.0 110.519 177.241 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' TYR . . . . . 0.464 ' HB3' ' O ' ' B' ' 28' ' ' LEU . 88.1 t80 -64.57 -37.71 88.51 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.631 175.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' CYS . . . . . 0.512 ' SG ' ' HA ' ' B' ' 39' ' ' LEU . 82.4 m -75.05 -24.28 58.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.022 178.178 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.27 -33.9 32.4 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.231 0.539 . . . . 0.0 110.279 178.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -75.02 -43.54 53.08 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.355 -0.838 . . . . 0.0 111.461 -179.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . 0.62 ' HB3' HD13 ' B' ' 37' ' ' LEU . 46.7 m-80 -94.23 1.4 56.01 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.89 0.376 . . . . 0.0 110.26 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 55.75 24.94 7.75 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.955 -174.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.62 HD13 ' HB3' ' B' ' 35' ' ' ASN . 2.5 mp -73.66 164.35 26.77 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.051 178.382 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.502 ' HB2' ' HB2' ' B' ' 41' ' ' GLN . 48.0 mt-30 -84.87 134.85 34.27 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.32 175.147 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.512 ' HA ' ' SG ' ' B' ' 32' ' ' CYS . 0.2 OUTLIER -46.64 -52.58 13.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 123.471 0.482 . . . . 0.0 110.839 178.073 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . 0.79 HG23 HD12 ' A' ' 18' ' ' ILE . 6.1 m -58.83 -48.81 80.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.533 -179.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.502 ' HB2' ' HB2' ' B' ' 38' ' ' GLN . 18.2 tt0 -54.43 -39.47 67.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.564 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.728 ' HB3' HD11 ' B' ' 28' ' ' LEU . . . -70.93 -42.67 69.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.887 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 1.5 mp -58.18 -45.55 88.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 121.136 0.493 . . . . 0.0 110.451 175.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.503 ' HG2' ' HB2' ' A' ' 20' ' ' MET . 45.2 mt-10 -63.61 -44.46 93.9 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.921 -178.335 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -65.53 -35.15 80.0 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.928 0.395 . . . . 0.0 109.969 175.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.819 ' HB1' ' HA ' ' A' ' 47' ' ' ILE . . . -63.57 -54.95 27.97 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.815 178.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.79 ' HA ' ' HB1' ' A' ' 46' ' ' ALA . 6.9 tt -70.43 -25.41 26.93 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.047 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.912 -176.12 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.622 ' HE2' HE22 ' B' ' 52' ' ' GLN . 0.6 OUTLIER -71.72 -54.8 9.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.052 0.453 . . . . 0.0 110.011 178.216 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -69.35 -11.65 60.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.556 -179.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' TYR . . . . . 0.597 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 63.2 t80 -77.46 -47.88 18.55 Favored 'General case' 0 N--CA 1.438 -1.066 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.833 175.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.6 ' HG ' ' HG3' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -59.28 -39.46 82.99 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.067 175.874 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.622 HE22 ' HE2' ' B' ' 48' ' ' LYS . 1.2 mp0 . . . . . 0 C--N 1.325 -0.483 0 CA-C-O 120.813 0.339 . . . . 0.0 111.256 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.436 ' O ' ' HA ' ' B' ' 19' ' ' TYR . . . . . . . . 0 N--CA 1.448 -0.54 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.405 HG22 ' CD1' ' B' ' 19' ' ' TYR . 2.1 t -114.43 159.97 14.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.181 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.522 ' O ' ' HA2' ' B' ' 17' ' ' GLY . 2.3 t80 -149.34 121.6 8.39 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -177.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.519 ' HA2' ' O ' ' B' ' 16' ' ' PHE . . . -126.9 93.54 0.4 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 121.024 -0.608 . . . . 0.0 111.631 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.723 HD12 HG23 ' B' ' 40' ' ' THR . 33.3 pt -122.73 167.26 16.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 120.785 0.326 . . . . 0.0 111.722 -174.258 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.429 ' HA ' ' O ' ' B' ' 14' ' ' ALA . 66.7 m-85 -107.81 93.55 4.6 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.155 176.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.463 ' HB2' ' HG2' ' B' ' 44' ' ' GLU . 26.1 ptm -106.34 158.68 16.7 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.006 -178.162 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -58.2 152.79 16.35 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.308 0.575 . . . . 0.0 111.152 -179.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -78.47 -61.55 1.97 Allowed 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.847 -177.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -47.58 -35.51 9.23 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.092 0.87 . . . . 0.0 112.415 -176.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.698 HD11 ' CG2' ' B' ' 47' ' ' ILE . 0.6 OUTLIER -78.03 -52.55 8.61 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.497 -179.363 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.461 ' N ' HD13 ' A' ' 24' ' ' LEU . 3.3 ttpm? -61.42 -33.57 73.92 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.787 0.803 . . . . 0.0 109.967 177.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.435 ' O ' HG23 ' A' ' 30' ' ' VAL . 22.0 m -74.48 -33.96 62.99 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.539 -1.209 . . . . 0.0 110.903 -177.301 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.44 ' HG3' ' HG ' ' B' ' 51' ' ' LEU . 13.8 tpp180 -56.33 -52.25 65.24 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.375 0.607 . . . . 0.0 109.777 171.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.658 HD11 ' HB3' ' A' ' 42' ' ' ALA . 3.3 tm? -61.19 -37.21 82.15 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.963 176.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.454 ' HD3' ' C ' ' A' ' 29' ' ' LYS . 1.3 tmtp? -54.86 -39.49 68.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.073 0.464 . . . . 0.0 110.343 176.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 26' ' ' THR . 78.4 t -69.11 -34.48 63.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.412 0.625 . . . . 0.0 110.784 177.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.506 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 86.1 t80 -62.37 -39.16 92.27 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.678 175.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.538 ' SG ' ' HA ' ' A' ' 39' ' ' LEU . 80.7 m -72.47 -25.6 61.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.405 178.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.11 -38.11 32.28 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 121.212 0.53 . . . . 0.0 110.187 178.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -77.01 -36.41 56.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.859 -176.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.506 ' HB3' HD13 ' A' ' 37' ' ' LEU . 34.1 m-80 -95.01 -1.05 53.17 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.003 0.43 . . . . 0.0 110.162 178.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.2 m120 57.61 25.6 11.85 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.829 -174.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.506 HD13 ' HB3' ' A' ' 35' ' ' ASN . 1.9 mp -76.1 165.47 24.87 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.186 178.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -88.31 135.56 33.4 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.448 174.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.538 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 0.1 OUTLIER -46.73 -50.86 17.37 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 123.484 0.49 . . . . 0.0 110.732 178.333 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.739 HG23 HD12 ' B' ' 18' ' ' ILE . 5.0 m -60.63 -49.37 77.78 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.503 -179.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.43 ' NE2' ' HG ' ' A' ' 37' ' ' LEU . 24.0 tt0 -55.62 -38.09 69.04 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.939 0.4 . . . . 0.0 110.515 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.658 ' HB3' HD11 ' A' ' 28' ' ' LEU . . . -67.61 -45.55 75.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.172 179.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.462 ' O ' HG22 ' A' ' 47' ' ' ILE . 1.5 mp -57.53 -46.43 86.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.828 0.347 . . . . 0.0 110.473 175.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.454 ' HG2' ' HB2' ' B' ' 20' ' ' MET . 46.8 mt-10 -62.38 -43.52 98.62 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.027 -178.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -63.05 -38.9 93.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.059 0.457 . . . . 0.0 109.979 173.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.744 ' HB1' ' HA ' ' B' ' 47' ' ' ILE . . . -62.23 -54.97 33.14 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.761 -179.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.75 ' HA ' ' HB1' ' B' ' 46' ' ' ALA . 19.9 tt -69.8 -23.83 26.15 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.148 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.292 -177.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.764 ' HE2' HE22 ' A' ' 52' ' ' GLN . 0.6 OUTLIER -71.98 -60.61 2.14 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 177.186 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.42 -21.46 25.33 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.644 175.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.651 ' CD1' ' HA ' ' B' ' 46' ' ' ALA . 60.4 t80 -70.51 -51.93 25.37 Favored 'General case' 0 N--CA 1.439 -1.024 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.618 -177.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.464 ' HG ' ' HG3' ' B' ' 27' ' ' ARG . 0.2 OUTLIER -58.42 -37.14 74.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.146 178.569 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.764 HE22 ' HE2' ' A' ' 48' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--N 1.323 -0.583 0 C-N-CA 120.473 -0.491 . . . . 0.0 111.417 -178.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.429 ' O ' ' HA ' ' A' ' 19' ' ' TYR . . . . . . . . 0 N--CA 1.45 -0.472 0 N-CA-C 108.687 -0.856 . . . . 0.0 108.687 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.404 HG22 ' CD1' ' A' ' 19' ' ' TYR . 2.1 t -114.7 159.54 14.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.24 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . 0.519 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 2.3 t80 -148.94 121.71 8.68 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -177.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . 0.522 ' HA2' ' O ' ' A' ' 16' ' ' PHE . . . -127.13 93.14 0.39 Allowed Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.926 -0.654 . . . . 0.0 111.666 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.739 HD12 HG23 ' A' ' 40' ' ' THR . 33.0 pt -122.33 167.29 16.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.855 0.36 . . . . 0.0 111.685 -173.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 66.8 m-85 -107.91 93.49 4.56 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.057 177.182 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' MET . . . . . 0.454 ' HB2' ' HG2' ' A' ' 44' ' ' GLU . 26.1 ptm -106.37 158.91 16.54 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.027 -178.09 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -58.46 152.58 17.65 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.114 0.483 . . . . 0.0 111.082 -179.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -78.4 -61.73 1.91 Allowed 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 115.707 -0.678 . . . . 0.0 109.885 -177.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -47.2 -35.73 7.88 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 124.036 0.835 . . . . 0.0 112.412 -176.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . 0.682 HD11 ' CG2' ' A' ' 47' ' ' ILE . 0.6 OUTLIER -77.84 -52.66 8.52 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.435 -179.245 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.466 ' N ' HD13 ' B' ' 24' ' ' LEU . 3.3 ttpm? -61.35 -33.5 73.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.618 0.723 . . . . 0.0 109.955 177.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . 0.446 ' O ' HG23 ' B' ' 30' ' ' VAL . 22.5 m -74.82 -33.46 62.2 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.76 -1.109 . . . . 0.0 110.818 -177.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.464 ' HG3' ' HG ' ' A' ' 51' ' ' LEU . 13.7 tpp180 -56.87 -51.91 67.2 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.346 0.593 . . . . 0.0 109.606 171.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.65 HD11 ' HB3' ' B' ' 42' ' ' ALA . 3.3 tm? -61.44 -37.02 82.02 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.153 -0.931 . . . . 0.0 111.052 176.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.457 ' HD3' ' C ' ' B' ' 29' ' ' LYS . 1.3 tmtp? -55.09 -39.21 69.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.074 0.464 . . . . 0.0 110.504 177.046 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.446 HG23 ' O ' ' B' ' 26' ' ' THR . 80.4 t -69.33 -34.6 63.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.534 0.683 . . . . 0.0 110.75 177.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' TYR . . . . . 0.503 ' HB3' ' O ' ' B' ' 28' ' ' LEU . 85.6 t80 -62.09 -39.44 92.47 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.691 175.4 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' CYS . . . . . 0.535 ' SG ' ' HA ' ' B' ' 39' ' ' LEU . 82.3 m -72.21 -25.87 61.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.233 178.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.81 -38.13 33.64 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 121.424 0.63 . . . . 0.0 110.285 178.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -77.03 -36.76 55.94 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.778 -177.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . 0.501 ' HB3' HD13 ' B' ' 37' ' ' LEU . 35.4 m-80 -94.86 -0.56 53.94 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.358 178.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 18.5 m120 57.39 25.17 10.99 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.821 -174.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.501 HD13 ' HB3' ' B' ' 35' ' ' ASN . 2.0 mp -75.84 165.31 25.19 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.213 178.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -88.4 135.45 33.46 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.423 174.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.535 ' HA ' ' SG ' ' B' ' 32' ' ' CYS . 0.1 OUTLIER -46.38 -50.94 15.87 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 123.515 0.509 . . . . 0.0 110.814 178.296 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . 0.723 HG23 HD12 ' A' ' 18' ' ' ILE . 5.3 m -60.65 -49.33 77.94 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.443 -179.186 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.443 ' NE2' ' HG ' ' B' ' 37' ' ' LEU . 24.0 tt0 -55.61 -38.0 68.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.918 0.389 . . . . 0.0 110.466 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.65 ' HB3' HD11 ' B' ' 28' ' ' LEU . . . -67.72 -45.68 74.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.079 179.362 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.461 ' O ' HG22 ' B' ' 47' ' ' ILE . 1.5 mp -57.44 -46.4 85.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 120.866 0.365 . . . . 0.0 110.465 175.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.463 ' HG2' ' HB2' ' A' ' 20' ' ' MET . 47.2 mt-10 -62.66 -43.21 99.39 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.028 -178.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -63.29 -38.89 92.93 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.049 0.452 . . . . 0.0 109.967 173.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.75 ' HB1' ' HA ' ' A' ' 47' ' ' ILE . . . -62.24 -55.0 32.72 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.777 -179.393 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.744 ' HA ' ' HB1' ' A' ' 46' ' ' ALA . 20.0 tt -69.69 -23.89 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.128 0 CA-C-N 115.349 -0.842 . . . . 0.0 111.325 -177.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.756 ' HE2' HE22 ' B' ' 52' ' ' GLN . 0.5 OUTLIER -71.91 -60.46 2.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.137 177.049 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.7 -21.3 26.83 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.703 175.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' TYR . . . . . 0.646 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 60.4 t80 -70.6 -51.92 24.96 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.748 -178.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.44 ' HG ' ' HG3' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -58.34 -37.06 74.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.134 178.439 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.756 HE22 ' HE2' ' B' ' 48' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--N 1.323 -0.554 0 C-N-CA 120.589 -0.445 . . . . 0.0 111.461 -178.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.429 ' O ' ' HA ' ' B' ' 19' ' ' TYR . . . . . . . . 0 N--CA 1.447 -0.615 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.452 HG22 ' CD1' ' B' ' 19' ' ' TYR . 2.2 t -109.19 161.27 7.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 177.093 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.609 ' O ' ' HA2' ' B' ' 17' ' ' GLY . 2.7 t80 -152.82 120.31 5.97 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -178.17 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.603 ' HA2' ' O ' ' B' ' 16' ' ' PHE . . . -126.81 96.57 0.46 Allowed Glycine 0 N--CA 1.451 -0.362 0 O-C-N 123.605 0.566 . . . . 0.0 111.704 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.742 HD12 HG23 ' B' ' 40' ' ' THR . 36.2 pt -124.78 169.23 16.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -174.155 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.464 ' CD1' HG22 ' B' ' 15' ' ' VAL . 75.5 m-85 -108.84 96.47 6.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.275 177.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.465 ' HB2' ' HG2' ' B' ' 44' ' ' GLU . 23.7 ptm -110.77 156.21 21.41 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.991 -177.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -59.68 153.8 19.36 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.203 0.525 . . . . 0.0 111.826 -176.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -77.17 -60.88 2.18 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.394 -174.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -50.67 -34.48 26.7 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 123.754 0.658 . . . . 0.0 111.638 -176.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.764 HD23 ' HE2' ' B' ' 48' ' ' LYS . 0.5 OUTLIER -76.16 -56.11 4.95 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.811 -179.784 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.406 ' N ' HD13 ' A' ' 24' ' ' LEU . 3.0 ttpm? -60.14 -31.81 70.43 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.809 0.814 . . . . 0.0 109.558 178.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.501 ' O ' HG23 ' A' ' 30' ' ' VAL . 95.0 m -78.81 -32.71 46.41 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.563 -1.198 . . . . 0.0 110.726 -177.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.607 ' HG3' ' HG ' ' B' ' 51' ' ' LEU . 13.2 tpp180 -56.9 -50.29 72.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.467 0.651 . . . . 0.0 109.58 171.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.736 HD11 ' HB3' ' A' ' 42' ' ' ALA . 3.2 tm? -63.13 -34.53 77.81 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.836 175.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.445 ' HD3' ' C ' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -57.54 -40.76 79.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.964 0.411 . . . . 0.0 110.085 175.657 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 26' ' ' THR . 85.0 t -67.39 -33.66 63.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.56 0.695 . . . . 0.0 110.724 177.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.416 ' HB3' HD22 ' A' ' 28' ' ' LEU . 69.2 t80 -65.03 -38.81 92.09 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.854 175.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.438 ' SG ' ' HA ' ' A' ' 39' ' ' LEU . 69.6 m -75.65 -21.36 57.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.764 178.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.08 -35.66 31.41 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.135 0.493 . . . . 0.0 110.152 176.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -70.65 -46.74 62.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.318 -179.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.457 ' HB3' HD13 ' A' ' 37' ' ' LEU . 39.1 m-80 -94.2 1.27 56.06 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.255 -178.316 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 57.32 22.72 8.07 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.903 -174.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.457 HD13 ' HB3' ' A' ' 35' ' ' ASN . 1.4 mp -70.2 166.4 20.08 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.358 0.599 . . . . 0.0 111.512 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -87.58 132.69 33.98 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.418 175.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.47 HD12 ' CZ ' ' B' ' 16' ' ' PHE . 0.1 OUTLIER -45.72 -49.94 14.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 123.678 0.611 . . . . 0.0 111.063 179.668 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.755 HG23 HD12 ' B' ' 18' ' ' ILE . 7.0 m -61.24 -48.87 79.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.579 -178.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.435 ' NE2' ' HG ' ' A' ' 37' ' ' LEU . 25.2 tt0 -55.83 -37.84 69.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.084 0.469 . . . . 0.0 110.567 -179.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.736 ' HB3' HD11 ' A' ' 28' ' ' LEU . . . -68.5 -45.54 72.05 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.049 179.108 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.474 ' O ' HG22 ' A' ' 47' ' ' ILE . 1.5 mp -57.2 -46.94 84.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.736 0.303 . . . . 0.0 110.505 176.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.475 ' HG2' ' HB2' ' B' ' 20' ' ' MET . 45.5 mt-10 -62.37 -44.99 95.17 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.968 -177.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -65.04 -33.84 77.0 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.859 0.361 . . . . 0.0 110.221 175.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.741 ' HB1' ' HA ' ' B' ' 47' ' ' ILE . . . -64.15 -56.13 16.92 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.594 178.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.745 ' HA ' ' HB1' ' B' ' 46' ' ' ALA . 19.1 tt -66.36 -30.06 48.63 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.029 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.355 -178.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.793 ' HE2' HD23 ' B' ' 24' ' ' LEU . 14.0 tppt? -67.75 -55.4 13.22 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.074 178.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -70.23 -11.71 61.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.778 0.323 . . . . 0.0 110.778 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.64 ' CD1' ' HA ' ' B' ' 46' ' ' ALA . 60.7 t80 -76.88 -45.92 26.43 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.084 177.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.599 ' HG ' ' HG3' ' B' ' 27' ' ' ARG . 0.2 OUTLIER -60.87 -37.81 83.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.398 177.101 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.555 HE22 ' HD3' ' A' ' 48' ' ' LYS . 1.1 mp0 . . . . . 0 C--N 1.322 -0.588 0 C-N-CA 120.305 -0.558 . . . . 0.0 111.227 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.419 ' O ' ' HA ' ' A' ' 19' ' ' TYR . . . . . . . . 0 N--CA 1.446 -0.637 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.464 HG22 ' CD1' ' A' ' 19' ' ' TYR . 2.3 t -109.64 161.38 8.04 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 177.365 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . 0.603 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 2.8 t80 -152.89 120.24 5.91 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 -178.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . 0.609 ' HA2' ' O ' ' A' ' 16' ' ' PHE . . . -126.85 96.37 0.45 Allowed Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 111.572 -0.611 . . . . 0.0 111.572 -179.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.755 HD12 HG23 ' A' ' 40' ' ' THR . 35.8 pt -124.42 169.28 15.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.92 0.39 . . . . 0.0 111.916 -174.324 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . 0.452 ' CD1' HG22 ' A' ' 15' ' ' VAL . 75.5 m-85 -108.79 96.37 6.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.22 177.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' MET . . . . . 0.475 ' HB2' ' HG2' ' A' ' 44' ' ' GLU . 23.9 ptm -110.59 156.21 21.26 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.828 -177.265 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -59.4 153.94 18.03 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.311 0.577 . . . . 0.0 111.805 -176.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -77.35 -60.69 2.26 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.565 -174.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -50.44 -34.99 26.65 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 123.793 0.683 . . . . 0.0 111.594 -176.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . 0.793 HD23 ' HE2' ' A' ' 48' ' ' LYS . 0.5 OUTLIER -76.0 -55.89 5.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.854 -179.521 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.414 ' N ' HD13 ' B' ' 24' ' ' LEU . 3.0 ttpm? -60.37 -31.9 70.78 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.793 0.806 . . . . 0.0 109.537 178.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . 0.508 ' O ' HG23 ' B' ' 30' ' ' VAL . 97.5 m -78.44 -32.75 48.67 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.503 -1.226 . . . . 0.0 110.627 -177.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.599 ' HG3' ' HG ' ' A' ' 51' ' ' LEU . 13.2 tpp180 -57.31 -50.13 73.91 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.344 0.592 . . . . 0.0 109.486 172.082 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.723 HD11 ' HB3' ' B' ' 42' ' ' ALA . 3.1 tm? -63.16 -34.53 77.83 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.91 175.174 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.445 ' HD3' ' C ' ' B' ' 29' ' ' LYS . 0.9 OUTLIER -57.5 -40.92 79.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.092 0.472 . . . . 0.0 109.948 175.611 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.508 HG23 ' O ' ' B' ' 26' ' ' THR . 86.6 t -67.37 -33.8 64.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.463 0.649 . . . . 0.0 110.688 178.047 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' TYR . . . . . 0.413 ' HB3' HD22 ' B' ' 28' ' ' LEU . 68.9 t80 -64.89 -38.78 92.11 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.884 175.423 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' CYS . . . . . 0.451 ' SG ' ' HA ' ' B' ' 39' ' ' LEU . 69.3 m -75.34 -21.87 58.05 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.68 178.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.45 -36.05 34.1 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.168 0.508 . . . . 0.0 110.011 176.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -70.38 -46.8 63.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.404 -178.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . 0.463 ' HB3' HD13 ' B' ' 37' ' ' LEU . 37.9 m-80 -94.37 1.3 55.87 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.298 -178.17 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 59.9 m-80 57.84 22.15 8.29 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.97 -175.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.463 HD13 ' HB3' ' B' ' 35' ' ' ASN . 1.4 mp -70.07 165.82 21.09 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.463 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -87.33 132.71 33.85 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.533 175.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.454 HD12 ' CZ ' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -45.66 -50.25 13.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 123.727 0.642 . . . . 0.0 111.049 179.717 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . 0.742 HG23 HD12 ' A' ' 18' ' ' ILE . 6.9 m -60.91 -49.04 79.08 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.642 -178.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.416 ' NE2' ' HG ' ' B' ' 37' ' ' LEU . 25.4 tt0 -55.87 -37.93 69.44 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.431 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.723 ' HB3' HD11 ' B' ' 28' ' ' LEU . . . -68.35 -45.69 72.15 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.043 179.043 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.474 ' O ' HG22 ' B' ' 47' ' ' ILE . 1.5 mp -57.01 -47.21 83.89 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.153 0 CA-C-O 120.787 0.327 . . . . 0.0 110.536 176.184 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.465 ' HG2' ' HB2' ' A' ' 20' ' ' MET . 44.9 mt-10 -62.13 -45.0 95.38 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.111 -177.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -65.06 -33.96 77.28 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 175.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.745 ' HB1' ' HA ' ' A' ' 47' ' ' ILE . . . -64.03 -56.27 16.24 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.563 178.483 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.741 ' HA ' ' HB1' ' A' ' 46' ' ' ALA . 19.1 tt -66.22 -30.16 49.01 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.067 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.224 -177.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.764 ' HE2' HD23 ' A' ' 24' ' ' LEU . 14.0 tppt? -67.85 -55.46 12.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.995 178.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -70.08 -11.77 61.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.815 0.34 . . . . 0.0 110.797 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' TYR . . . . . 0.625 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 61.0 t80 -76.87 -45.94 26.41 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.168 178.116 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.607 ' HG ' ' HG3' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -60.93 -37.64 83.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.493 176.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.542 HE22 ' CD ' ' B' ' 48' ' ' LYS . 1.1 mp0 . . . . . 0 C--N 1.324 -0.518 0 C-N-CA 120.198 -0.601 . . . . 0.0 111.433 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.48 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.436 HG22 ' CD1' ' B' ' 19' ' ' TYR . 2.5 t -109.51 162.94 6.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.507 ' O ' ' HA2' ' B' ' 17' ' ' GLY . 3.2 t80 -151.83 121.11 6.77 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.516 ' HA2' ' O ' ' B' ' 16' ' ' PHE . . . -128.46 95.89 0.4 Allowed Glycine 0 N--CA 1.45 -0.406 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 -179.044 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.766 HD12 HG23 ' B' ' 40' ' ' THR . 41.8 pt -124.92 173.34 11.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.931 0.396 . . . . 0.0 111.475 -173.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.458 ' CD1' HG22 ' B' ' 15' ' ' VAL . 79.7 m-85 -117.07 101.45 8.49 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.097 179.184 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 22.0 ptm -115.27 158.04 22.91 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.306 -175.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.56 157.95 6.42 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.123 0.487 . . . . 0.0 111.867 -178.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.0 tttm -76.66 -65.16 0.97 Allowed 'General case' 0 C--O 1.214 -0.772 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.207 -178.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -46.3 -39.12 9.58 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.911 0.757 . . . . 0.0 112.157 -174.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.696 HD11 ' CG2' ' B' ' 47' ' ' ILE . 0.8 OUTLIER -71.3 -55.98 6.94 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.792 179.659 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.446 ' N ' HD13 ' A' ' 24' ' ' LEU . 3.8 ttpm? -61.5 -32.55 72.58 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 121.809 0.814 . . . . 0.0 109.906 178.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.497 ' O ' HG23 ' A' ' 30' ' ' VAL . 54.0 m -74.27 -37.72 63.63 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.666 -1.152 . . . . 0.0 110.773 -177.126 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.727 ' HG3' ' HG ' ' B' ' 51' ' ' LEU . 15.9 tpp180 -56.25 -50.48 71.2 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.691 173.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.67 HD11 ' HB3' ' A' ' 42' ' ' ALA . 3.0 tm? -61.84 -36.59 81.63 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.068 175.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.496 ' HD3' ' C ' ' A' ' 29' ' ' LYS . 0.7 OUTLIER -57.67 -40.34 79.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.123 0.487 . . . . 0.0 110.003 176.091 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 26' ' ' THR . 85.5 t -69.49 -32.43 52.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.608 0.718 . . . . 0.0 110.86 177.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.416 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 85.2 t80 -64.83 -38.55 91.37 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.7 174.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.427 ' SG ' HD13 ' A' ' 28' ' ' LEU . 69.2 m -74.86 -16.98 60.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.654 177.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.17 -34.53 20.5 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.21 0.529 . . . . 0.0 110.055 176.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -72.74 -46.11 55.2 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.244 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.422 ' HB3' HD13 ' A' ' 37' ' ' LEU . 34.3 m-80 -94.16 3.46 55.24 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.207 -178.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 53.53 25.28 4.66 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.328 -173.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.422 HD13 ' HB3' ' A' ' 35' ' ' ASN . 1.3 mp -72.64 164.45 26.46 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.361 0.6 . . . . 0.0 111.512 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -86.24 134.3 33.78 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.407 174.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.485 HD12 ' CZ ' ' B' ' 16' ' ' PHE . 0.2 OUTLIER -46.24 -50.48 15.89 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 123.657 0.598 . . . . 0.0 111.044 178.019 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.767 HG23 HD12 ' B' ' 18' ' ' ILE . 17.3 m -61.95 -47.85 83.0 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.095 -178.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.412 HE21 ' HG ' ' A' ' 37' ' ' LEU . 23.3 tt0 -56.92 -37.6 71.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.544 179.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.67 ' HB3' HD11 ' A' ' 28' ' ' LEU . . . -68.5 -45.97 70.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.192 178.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.496 ' O ' HG22 ' A' ' 47' ' ' ILE . 1.5 mp -56.4 -46.64 82.05 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.185 0 CA-C-O 120.656 0.265 . . . . 0.0 110.34 176.303 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.446 ' HA ' HG22 ' A' ' 47' ' ' ILE . 45.6 mt-10 -62.17 -42.17 99.01 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.973 -179.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -62.42 -41.63 98.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.191 0.519 . . . . 0.0 109.895 173.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.701 ' HB1' ' HA ' ' B' ' 47' ' ' ILE . . . -61.3 -54.27 46.09 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.751 -178.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.733 ' HA ' ' HB1' ' B' ' 46' ' ' ALA . 20.3 tt -69.79 -24.87 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.17 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.022 -177.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.716 ' HE2' HE22 ' A' ' 52' ' ' GLN . 1.5 tpmt? -70.88 -61.04 1.91 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.123 177.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.07 -22.48 50.49 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.161 177.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.625 ' CD1' ' HA ' ' B' ' 46' ' ' ALA . 55.4 t80 -69.35 -51.48 36.49 Favored 'General case' 0 N--CA 1.439 -1.008 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.625 -178.376 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.701 ' HG ' ' HG3' ' B' ' 27' ' ' ARG . 0.2 OUTLIER -60.21 -35.56 75.68 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.314 178.085 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.716 HE22 ' HE2' ' A' ' 48' ' ' LYS . 1.8 mp0 . . . . . 0 C--N 1.323 -0.545 0 C-N-CA 120.688 -0.405 . . . . 0.0 111.153 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.531 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.458 HG22 ' CD1' ' A' ' 19' ' ' TYR . 2.5 t -109.56 163.04 6.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 179.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . 0.516 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 3.2 t80 -151.99 121.14 6.71 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . 0.507 ' HA2' ' O ' ' A' ' 16' ' ' PHE . . . -128.19 96.13 0.41 Allowed Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 111.431 -0.668 . . . . 0.0 111.431 -179.143 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.767 HD12 HG23 ' A' ' 40' ' ' THR . 42.2 pt -125.01 173.36 11.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.984 0.421 . . . . 0.0 111.39 -173.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . 0.436 ' CD1' HG22 ' A' ' 15' ' ' VAL . 79.4 m-85 -117.13 101.66 8.65 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.077 178.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 22.0 ptm -115.15 158.07 22.74 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.342 -176.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.92 158.17 6.88 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.162 0.506 . . . . 0.0 111.809 -178.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -76.81 -64.89 1.02 Allowed 'General case' 0 C--O 1.215 -0.742 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.237 -178.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -46.55 -39.05 10.3 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 123.939 0.775 . . . . 0.0 111.968 -174.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . 0.682 HD11 ' CG2' ' A' ' 47' ' ' ILE . 0.8 OUTLIER -71.37 -55.58 7.69 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.798 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.448 ' N ' HD13 ' B' ' 24' ' ' LEU . 3.9 ttpm? -61.88 -32.25 72.6 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 121.724 0.773 . . . . 0.0 109.894 178.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . 0.48 ' O ' HG23 ' B' ' 30' ' ' VAL . 54.8 m -74.59 -37.89 62.76 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.678 -1.146 . . . . 0.0 110.537 -177.068 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.701 ' HG3' ' HG ' ' A' ' 51' ' ' LEU . 15.9 tpp180 -55.84 -50.94 69.19 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.631 173.502 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.654 HD11 ' HB3' ' B' ' 42' ' ' ALA . 3.0 tm? -61.7 -36.35 80.66 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.162 175.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.496 ' HD3' ' C ' ' B' ' 29' ' ' LYS . 0.7 OUTLIER -57.63 -40.59 79.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.088 0.471 . . . . 0.0 109.953 175.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.48 HG23 ' O ' ' B' ' 26' ' ' THR . 84.8 t -69.28 -32.85 55.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.716 177.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' TYR . . . . . 0.418 ' HB3' HD22 ' B' ' 28' ' ' LEU . 84.6 t80 -64.5 -38.82 92.34 Favored 'General case' 0 C--N 1.313 -1.022 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.557 174.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' CYS . . . . . 0.423 ' SG ' HD13 ' B' ' 28' ' ' LEU . 70.7 m -74.68 -17.2 60.71 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.705 178.135 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.13 -34.36 20.62 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.335 0.588 . . . . 0.0 109.978 176.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -72.67 -46.33 54.43 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.113 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . 0.412 ' HB3' HD13 ' B' ' 37' ' ' LEU . 34.5 m-80 -94.16 3.37 55.38 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.201 -178.128 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 53.55 25.79 5.11 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.16 -174.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.42 ' HG ' HE21 ' B' ' 41' ' ' GLN . 1.3 mp -72.97 164.77 26.19 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-O 121.338 0.59 . . . . 0.0 111.489 179.511 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -86.71 134.61 33.58 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.118 -0.946 . . . . 0.0 109.214 174.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.487 HD12 ' CZ ' ' A' ' 16' ' ' PHE . 0.2 OUTLIER -46.53 -50.41 17.23 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 123.602 0.564 . . . . 0.0 111.019 178.036 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . 0.766 HG23 HD12 ' A' ' 18' ' ' ILE . 18.0 m -61.93 -47.64 84.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.227 -179.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.42 HE21 ' HG ' ' B' ' 37' ' ' LEU . 23.2 tt0 -57.16 -37.51 72.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.448 179.544 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.654 ' HB3' HD11 ' B' ' 28' ' ' LEU . . . -68.57 -45.93 70.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.132 178.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.495 ' O ' HG22 ' B' ' 47' ' ' ILE . 1.5 mp -56.63 -46.25 82.74 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.261 0 CA-C-O 120.708 0.289 . . . . 0.0 110.318 176.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.444 ' HA ' HG22 ' B' ' 47' ' ' ILE . 47.1 mt-10 -62.41 -42.0 99.1 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.052 -179.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -62.45 -41.61 98.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.339 0.59 . . . . 0.0 109.768 173.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.733 ' HB1' ' HA ' ' A' ' 47' ' ' ILE . . . -61.24 -54.33 45.57 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.707 -178.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.701 ' HA ' ' HB1' ' A' ' 46' ' ' ALA . 20.4 tt -69.62 -24.95 27.68 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.206 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.028 -177.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.732 ' HE2' HE22 ' B' ' 52' ' ' GLN . 1.5 tpmt? -71.01 -60.78 2.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.292 177.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.29 -22.42 52.75 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 177.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' TYR . . . . . 0.63 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 55.9 t80 -69.34 -51.6 35.35 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.571 -178.431 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.727 ' HG ' ' HG3' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -60.51 -34.75 74.53 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.551 178.023 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.732 HE22 ' HE2' ' B' ' 48' ' ' LYS . 1.8 mp0 . . . . . 0 C--N 1.323 -0.586 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.094 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.687 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.421 HG22 ' CD1' ' B' ' 19' ' ' TYR . 2.2 t -102.28 160.28 4.17 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 -178.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.538 ' O ' ' HA2' ' B' ' 17' ' ' GLY . 2.3 t80 -146.85 123.27 11.01 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.527 ' HA2' ' O ' ' B' ' 16' ' ' PHE . . . -131.43 90.95 0.28 Allowed Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.527 -177.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.728 HD12 HG23 ' B' ' 40' ' ' THR . 47.3 pt -122.51 162.99 21.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.844 0.354 . . . . 0.0 111.413 -174.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.455 ' CD1' HG22 ' B' ' 15' ' ' VAL . 63.8 m-85 -108.28 94.47 5.08 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.839 -0.618 . . . . 0.0 109.968 175.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.779 ' SD ' ' HB2' ' A' ' 25' ' ' LYS . 1.8 ptp -98.87 178.81 4.84 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.879 177.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.7 158.18 35.15 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 121.206 0.527 . . . . 0.0 110.932 176.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.0 tttm -78.91 -59.11 2.91 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.583 -177.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -47.6 -38.83 15.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.03 0.831 . . . . 0.0 111.873 -175.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.685 HD11 HG23 ' B' ' 47' ' ' ILE . 0.9 OUTLIER -73.78 -59.02 2.91 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.751 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.779 ' HB2' ' SD ' ' A' ' 20' ' ' MET . 3.1 ttpm? -51.85 -38.15 54.85 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.965 0.888 . . . . 0.0 109.732 176.217 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.488 ' O ' HG23 ' A' ' 30' ' ' VAL . 98.8 m -75.89 -32.12 59.53 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.09 -1.414 . . . . 0.0 110.904 -175.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.522 ' HG3' ' HG ' ' B' ' 51' ' ' LEU . 17.7 tpp180 -57.95 -53.76 54.63 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.28 172.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.673 HD11 ' HB3' ' A' ' 42' ' ' ALA . 3.0 tm? -60.1 -36.16 76.82 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.325 174.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.407 ' HD3' ' C ' ' A' ' 29' ' ' LYS . 13.6 tmtt? -56.05 -45.14 79.35 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.117 0.484 . . . . 0.0 110.579 176.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 26' ' ' THR . 90.6 t -66.67 -34.02 67.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.482 0.658 . . . . 0.0 110.655 179.13 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.414 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 91.3 t80 -63.1 -39.06 93.59 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.697 174.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.454 ' SG ' HD13 ' A' ' 28' ' ' LEU . 71.9 m -69.16 -36.62 77.58 Favored 'General case' 0 C--O 1.216 -0.687 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.725 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.85 -37.93 73.15 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 121.325 0.583 . . . . 0.0 110.563 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -71.96 -37.99 69.85 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.66 -177.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.577 ' HB3' HD13 ' A' ' 37' ' ' LEU . 34.8 m-80 -96.09 -1.35 48.83 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.585 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 60.92 24.24 14.28 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.61 -174.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.577 HD13 ' HB3' ' A' ' 35' ' ' ASN . 2.6 mp -75.93 163.66 26.97 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.034 178.051 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -91.66 134.1 34.99 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.372 176.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.442 HD12 ' CZ ' ' B' ' 16' ' ' PHE . 0.2 OUTLIER -45.3 -51.5 10.9 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 123.496 0.498 . . . . 0.0 111.3 178.621 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.739 HG23 HD12 ' B' ' 18' ' ' ILE . 14.5 m -60.15 -47.73 84.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.017 -179.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.442 ' NE2' ' HG ' ' A' ' 37' ' ' LEU . 18.3 tt0 -56.6 -38.78 72.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.264 179.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.673 ' HB3' HD11 ' A' ' 28' ' ' LEU . . . -69.73 -44.24 70.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.162 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.47 HG21 HD11 ' B' ' 18' ' ' ILE . 1.5 mp -58.34 -46.22 89.23 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.362 0 CA-C-O 120.535 0.207 . . . . 0.0 110.518 175.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.605 ' HG2' ' HB2' ' B' ' 20' ' ' MET . 46.9 mt-10 -61.15 -44.55 97.14 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.668 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -61.16 -40.91 95.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.007 0.432 . . . . 0.0 109.893 174.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.686 ' HB1' ' HA ' ' B' ' 47' ' ' ILE . . . -63.1 -54.09 43.41 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.623 -179.027 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.677 ' HA ' ' HB1' ' B' ' 46' ' ' ALA . 21.1 tt -69.46 -27.0 32.49 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.987 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.073 -177.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.768 ' HE2' HE22 ' A' ' 52' ' ' GLN . 0.6 OUTLIER -70.79 -56.39 6.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.894 0.378 . . . . 0.0 110.454 179.15 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -72.76 -9.1 58.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.826 -177.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.611 ' CD1' ' HA ' ' B' ' 46' ' ' ALA . 66.9 t80 -76.15 -45.3 34.21 Favored 'General case' 0 N--CA 1.434 -1.235 0 CA-C-N 116.114 -0.493 . . . . 0.0 109.854 176.216 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.509 ' HG ' ' HG3' ' B' ' 27' ' ' ARG . 0.2 OUTLIER -60.6 -38.41 84.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.169 175.534 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.768 HE22 ' HE2' ' A' ' 48' ' ' LYS . 1.2 mp0 . . . . . 0 C--N 1.325 -0.477 0 C-N-CA 120.6 -0.44 . . . . 0.0 111.522 -179.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.682 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.455 HG22 ' CD1' ' A' ' 19' ' ' TYR . 2.2 t -102.12 160.07 4.16 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.054 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 -178.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . 0.527 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 2.3 t80 -146.7 123.21 11.07 Favored 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.251 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . 0.538 ' HA2' ' O ' ' A' ' 16' ' ' PHE . . . -130.95 90.99 0.29 Allowed Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.995 -0.621 . . . . 0.0 111.616 -178.093 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.739 HD12 HG23 ' A' ' 40' ' ' THR . 47.5 pt -122.48 163.06 21.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 120.737 0.303 . . . . 0.0 111.352 -174.346 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . 0.421 ' CD1' HG22 ' A' ' 15' ' ' VAL . 64.1 m-85 -108.26 95.06 5.41 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.898 174.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' MET . . . . . 0.771 ' SD ' ' HB2' ' B' ' 25' ' ' LYS . 1.7 ptp -99.33 178.87 4.76 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.812 177.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.65 158.07 35.42 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-O 121.148 0.499 . . . . 0.0 110.778 177.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 51.2 tttm -78.73 -59.43 2.78 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.63 -177.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -47.47 -38.67 14.18 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.023 0.827 . . . . 0.0 111.905 -175.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . 0.699 HD23 ' SD ' ' B' ' 20' ' ' MET . 0.9 OUTLIER -73.97 -58.93 2.97 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.738 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.771 ' HB2' ' SD ' ' B' ' 20' ' ' MET . 3.1 ttpm? -51.86 -38.42 55.9 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.936 0.874 . . . . 0.0 109.731 176.036 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . 0.489 ' O ' HG23 ' B' ' 30' ' ' VAL . 99.2 m -75.5 -32.17 60.45 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.093 -1.412 . . . . 0.0 110.82 -175.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.509 ' HG3' ' HG ' ' A' ' 51' ' ' LEU . 17.8 tpp180 -58.04 -53.82 53.92 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 172.151 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.672 HD11 ' HB3' ' B' ' 42' ' ' ALA . 3.0 tm? -60.21 -35.85 76.33 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.407 174.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.4 ' C ' ' HD3' ' B' ' 29' ' ' LYS . 13.6 tmtt? -56.26 -45.0 80.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.11 0.481 . . . . 0.0 110.517 176.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.489 HG23 ' O ' ' B' ' 26' ' ' THR . 93.4 t -66.79 -34.15 68.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.418 0.628 . . . . 0.0 110.599 179.166 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' TYR . . . . . 0.401 ' HB3' ' O ' ' B' ' 28' ' ' LEU . 91.5 t80 -62.89 -39.01 93.2 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.765 174.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' CYS . . . . . 0.449 ' SG ' HD13 ' B' ' 28' ' ' LEU . 72.0 m -69.27 -36.34 77.0 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.012 179.17 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.96 -37.82 72.78 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 121.32 0.581 . . . . 0.0 110.588 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -72.32 -37.69 68.86 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.648 -177.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . 0.559 ' HB3' HD13 ' B' ' 37' ' ' LEU . 35.5 m-80 -96.42 -1.12 48.17 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.591 179.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 60.49 24.5 14.12 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.547 -174.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.559 HD13 ' HB3' ' B' ' 35' ' ' ASN . 2.7 mp -76.2 163.31 27.19 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.965 178.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -91.19 134.28 34.68 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.415 176.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.431 HD12 ' CZ ' ' A' ' 16' ' ' PHE . 0.2 OUTLIER -45.22 -51.45 10.67 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 123.426 0.454 . . . . 0.0 111.265 178.334 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . 0.728 HG23 HD12 ' A' ' 18' ' ' ILE . 15.1 m -60.12 -47.87 84.1 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.98 -179.279 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.446 ' NE2' ' HG ' ' B' ' 37' ' ' LEU . 18.0 tt0 -56.31 -38.98 72.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.505 179.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.672 ' HB3' HD11 ' B' ' 28' ' ' LEU . . . -69.78 -44.2 70.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.215 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.462 HG21 HD11 ' A' ' 18' ' ' ILE . 1.5 mp -58.34 -46.36 89.18 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 CA-C-O 120.626 0.251 . . . . 0.0 110.349 175.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.573 ' HG2' ' HB2' ' A' ' 20' ' ' MET . 47.3 mt-10 -61.16 -44.94 96.52 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.664 -179.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -60.61 -40.87 93.43 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.249 0.547 . . . . 0.0 109.877 174.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.677 ' HB1' ' HA ' ' A' ' 47' ' ' ILE . . . -63.25 -54.18 41.4 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.62 -178.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.686 ' HA ' ' HB1' ' A' ' 46' ' ' ALA . 21.2 tt -69.28 -27.12 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.99 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.056 -177.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.739 ' HE2' HE22 ' B' ' 52' ' ' GLN . 0.6 OUTLIER -70.75 -56.22 6.87 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 121.156 0.503 . . . . 0.0 110.556 179.368 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -72.65 -9.67 58.88 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.808 -177.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' TYR . . . . . 0.605 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 66.6 t80 -75.72 -45.01 39.06 Favored 'General case' 0 N--CA 1.434 -1.243 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.824 176.398 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.522 ' HG ' ' HG3' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -61.01 -38.39 85.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.953 175.815 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.739 HE22 ' HE2' ' B' ' 48' ' ' LYS . 1.3 mp0 . . . . . 0 C--N 1.322 -0.597 0 C-N-CA 120.526 -0.47 . . . . 0.0 111.423 -179.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.541 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.441 HG22 ' CD1' ' B' ' 19' ' ' TYR . 2.4 t -106.56 162.68 5.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.492 ' O ' ' HA2' ' B' ' 17' ' ' GLY . 3.4 t80 -152.24 124.59 8.22 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.484 ' HA2' ' O ' ' B' ' 16' ' ' PHE . . . -131.16 98.92 0.4 Allowed Glycine 0 N--CA 1.45 -0.367 0 N-CA-C 111.615 -0.594 . . . . 0.0 111.615 -179.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.786 HD12 HG23 ' B' ' 40' ' ' THR . 45.1 pt -127.37 171.56 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.747 0.308 . . . . 0.0 111.652 -174.242 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.457 ' CD1' HG22 ' B' ' 15' ' ' VAL . 73.8 m-85 -115.52 96.76 5.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.023 176.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.458 ' HB2' ' HG2' ' B' ' 44' ' ' GLU . 21.3 ptm -107.37 163.18 13.26 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.504 -177.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.77 156.75 10.59 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.078 0.466 . . . . 0.0 111.284 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -79.19 -63.09 1.5 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.806 -177.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -48.19 -39.39 20.81 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 123.874 0.734 . . . . 0.0 111.631 -175.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.776 HD11 HG23 ' B' ' 47' ' ' ILE . 0.2 OUTLIER -68.4 -58.08 4.89 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.719 179.486 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.467 ' HD2' ' CD1' ' B' ' 16' ' ' PHE . 3.3 ttpm? -59.68 -33.88 72.14 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.453 0.644 . . . . 0.0 110.1 178.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.528 ' O ' HG23 ' A' ' 30' ' ' VAL . 19.7 m -75.42 -34.23 60.99 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.556 -177.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.55 ' HG3' ' HG ' ' B' ' 51' ' ' LEU . 16.7 tpp180 -57.58 -54.08 50.92 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.49 0.662 . . . . 0.0 109.48 173.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.687 HD11 ' HB3' ' A' ' 42' ' ' ALA . 3.1 tm? -58.86 -36.12 74.08 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.443 174.513 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.405 ' C ' ' HD3' ' A' ' 29' ' ' LYS . 1.4 tmtp? -57.96 -42.46 85.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.979 0.418 . . . . 0.0 110.029 176.205 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 26' ' ' THR . 94.9 t -66.74 -34.71 71.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.572 177.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.442 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 91.3 t80 -62.58 -39.1 92.63 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.767 175.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.562 ' SG ' ' HA ' ' A' ' 39' ' ' LEU . 80.9 m -72.33 -32.06 66.2 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.123 179.537 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.2 -37.09 58.25 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.286 0.565 . . . . 0.0 110.437 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -74.21 -38.6 63.53 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.37 -177.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.427 ' HB3' HD13 ' A' ' 37' ' ' LEU . 42.2 m-80 -94.81 0.48 54.91 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.155 179.102 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 57.56 23.63 9.47 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.055 -175.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.427 HD13 ' HB3' ' A' ' 35' ' ' ASN . 1.4 mp -72.95 168.01 19.87 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.042 177.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -90.47 132.95 35.37 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.308 174.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.562 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 0.1 OUTLIER -45.73 -51.58 12.31 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 123.716 0.635 . . . . 0.0 110.683 178.802 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.805 HG23 HD12 ' B' ' 18' ' ' ILE . 10.4 m -59.59 -49.2 78.69 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.643 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.547 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 23.9 tt0 -55.84 -38.37 69.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.113 0.483 . . . . 0.0 110.528 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.687 ' HB3' HD11 ' A' ' 28' ' ' LEU . . . -67.36 -44.61 78.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.747 179.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.425 HG21 HD11 ' B' ' 18' ' ' ILE . 1.5 mp -58.21 -46.21 88.7 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.251 0 CA-C-O 120.941 0.4 . . . . 0.0 110.319 175.11 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.484 ' HG2' ' HB2' ' B' ' 20' ' ' MET . 47.8 mt-10 -62.02 -41.95 98.64 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.185 -178.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' A' ' 41' ' ' GLN . 10.5 mm-40 -69.0 -34.09 74.72 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 175.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.697 ' HB1' ' HA ' ' B' ' 47' ' ' ILE . . . -63.9 -54.91 27.33 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.527 178.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.79 HG23 HD11 ' B' ' 24' ' ' LEU . 20.8 tt -69.08 -24.79 28.55 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.209 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.073 -177.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.578 ' HA ' ' HE3' ' A' ' 48' ' ' LYS . 0.6 OUTLIER -74.05 -57.48 3.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.072 178.302 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -62.08 -16.51 52.67 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 176.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.647 ' CD1' ' HA ' ' B' ' 46' ' ' ALA . 56.9 t80 -71.67 -52.55 17.31 Favored 'General case' 0 N--CA 1.439 -0.975 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.231 177.101 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.563 ' HG ' ' HG3' ' B' ' 27' ' ' ARG . 0.2 OUTLIER -58.11 -33.68 69.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.353 177.509 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.578 HE22 ' HE2' ' A' ' 48' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--N 1.323 -0.555 0 CA-C-O 120.693 0.282 . . . . 0.0 110.948 178.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.483 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.457 HG22 ' CD1' ' A' ' 19' ' ' TYR . 2.4 t -106.43 162.7 5.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . 0.484 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 3.4 t80 -152.16 123.73 7.84 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.856 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . 0.492 ' HA2' ' O ' ' A' ' 16' ' ' PHE . . . -130.06 99.61 0.45 Allowed Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 111.496 -0.642 . . . . 0.0 111.496 -179.506 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.805 HD12 HG23 ' A' ' 40' ' ' THR . 45.4 pt -127.65 171.83 15.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.941 0.4 . . . . 0.0 111.776 -174.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . 0.441 ' CD1' HG22 ' A' ' 15' ' ' VAL . 73.5 m-85 -115.82 96.89 5.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.989 176.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' MET . . . . . 0.484 ' HB2' ' HG2' ' A' ' 44' ' ' GLU . 21.4 ptm -107.52 163.02 13.42 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.477 -177.41 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.67 156.51 10.78 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.171 0.51 . . . . 0.0 111.216 179.199 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -79.01 -63.45 1.42 Allowed 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.774 -177.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -47.71 -39.86 18.69 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 123.878 0.736 . . . . 0.0 111.691 -175.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . 0.79 HD11 HG23 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -68.16 -58.13 4.94 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.716 179.567 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.459 ' HD2' ' CD1' ' A' ' 16' ' ' PHE . 3.3 ttpm? -59.52 -33.79 71.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.52 0.676 . . . . 0.0 110.158 178.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . 0.514 ' O ' HG23 ' B' ' 30' ' ' VAL . 19.7 m -75.59 -34.29 60.63 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.723 -177.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.563 ' HG3' ' HG ' ' A' ' 51' ' ' LEU . 16.9 tpp180 -57.44 -54.35 47.83 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.556 0.693 . . . . 0.0 109.603 173.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.66 HD11 ' HB3' ' B' ' 42' ' ' ALA . 3.1 tm? -58.55 -36.2 73.53 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.35 174.449 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.417 ' HD3' ' C ' ' B' ' 29' ' ' LYS . 1.3 tmtp? -58.03 -42.3 85.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.97 0.414 . . . . 0.0 109.998 176.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.514 HG23 ' O ' ' B' ' 26' ' ' THR . 92.5 t -66.9 -34.72 71.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.456 0.646 . . . . 0.0 110.479 177.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' TYR . . . . . 0.439 ' HB3' ' O ' ' B' ' 28' ' ' LEU . 91.4 t80 -62.65 -39.05 92.68 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.796 175.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' CYS . . . . . 0.566 ' SG ' ' HA ' ' B' ' 39' ' ' LEU . 77.6 m -72.17 -32.37 66.78 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.145 179.333 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.87 -37.36 59.0 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.294 0.569 . . . . 0.0 110.394 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -73.73 -38.83 64.65 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.404 -177.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . 0.428 ' HB3' HD13 ' B' ' 37' ' ' LEU . 41.0 m-80 -94.61 0.26 55.02 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.233 179.27 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 57.46 24.07 9.8 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.514 -0.767 . . . . 0.0 111.076 -175.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.428 HD13 ' HB3' ' B' ' 35' ' ' ASN . 1.4 mp -73.2 167.84 20.35 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.114 177.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -90.52 132.7 35.54 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.301 174.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.566 ' HA ' ' SG ' ' B' ' 32' ' ' CYS . 0.1 OUTLIER -45.57 -51.27 12.21 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 123.624 0.578 . . . . 0.0 110.669 179.06 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . 0.786 HG23 HD12 ' A' ' 18' ' ' ILE . 8.9 m -59.64 -49.42 77.82 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.673 -179.167 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.551 ' O ' ' HG2' ' B' ' 45' ' ' GLU . 24.0 tt0 -55.9 -38.34 70.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.367 -179.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.66 ' HB3' HD11 ' B' ' 28' ' ' LEU . . . -67.36 -44.81 78.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.773 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.417 ' O ' HG22 ' B' ' 47' ' ' ILE . 1.5 mp -57.96 -46.18 87.75 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.234 0 CA-C-O 120.903 0.383 . . . . 0.0 110.408 174.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.458 ' HG2' ' HB2' ' A' ' 20' ' ' MET . 47.6 mt-10 -62.19 -41.96 98.84 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.093 -178.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.551 ' HG2' ' O ' ' B' ' 41' ' ' GLN . 9.3 mm-40 -69.3 -33.74 73.65 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 175.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.709 ' HB1' ' HA ' ' A' ' 47' ' ' ILE . . . -63.88 -54.84 28.47 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.53 178.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.776 HG23 HD11 ' A' ' 24' ' ' LEU . 20.9 tt -69.36 -24.46 27.66 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.119 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.003 -176.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.574 ' HA ' ' HE3' ' B' ' 48' ' ' LYS . 0.6 OUTLIER -74.12 -57.47 3.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.292 -0.413 . . . . 0.0 109.893 178.374 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -62.21 -16.66 54.73 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 176.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' TYR . . . . . 0.634 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 56.9 t80 -71.53 -52.7 16.88 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.301 177.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.55 ' HG ' ' HG3' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -57.97 -33.51 68.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.345 177.316 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.572 HE22 ' HE2' ' B' ' 48' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--N 1.323 -0.549 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.872 178.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.422 ' O ' ' HA ' ' B' ' 19' ' ' TYR . . . . . . . . 0 N--CA 1.449 -0.515 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.414 HG22 ' CD1' ' B' ' 19' ' ' TYR . 2.2 t -110.02 161.14 8.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 179.064 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.582 ' O ' ' HA2' ' B' ' 17' ' ' GLY . 1.6 t80 -148.68 130.28 14.94 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.32 -0.4 . . . . 0.0 109.932 -177.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.59 ' HA2' ' O ' ' B' ' 16' ' ' PHE . . . -134.5 94.31 0.26 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.689 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.693 HD12 HG23 ' B' ' 40' ' ' THR . 43.6 pt -126.17 168.5 18.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.856 0.36 . . . . 0.0 111.83 -174.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.421 ' CD1' HG22 ' B' ' 15' ' ' VAL . 65.2 m-85 -109.37 97.35 6.95 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.959 176.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 22.6 ptm -108.59 156.73 19.19 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.264 -177.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -60.67 154.78 20.56 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.214 0.53 . . . . 0.0 112.359 -175.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -74.43 -64.51 1.01 Allowed 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.968 -174.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -49.92 -38.56 36.75 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 123.857 0.723 . . . . 0.0 111.541 -176.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.719 HD23 ' HE3' ' B' ' 48' ' ' LYS . 0.7 OUTLIER -68.91 -56.48 7.76 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.784 -179.836 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.447 ' N ' HD13 ' A' ' 24' ' ' LEU . 3.2 ttpm? -62.63 -30.29 71.25 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 121.751 0.786 . . . . 0.0 109.525 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.501 ' O ' HG23 ' A' ' 30' ' ' VAL . 20.9 m -74.83 -40.2 61.19 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.581 -1.19 . . . . 0.0 111.206 -177.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.502 ' HG3' ' HG ' ' B' ' 51' ' ' LEU . 12.3 tpp180 -55.59 -47.33 76.66 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.333 0.587 . . . . 0.0 110.045 173.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.653 HD11 ' HB3' ' A' ' 42' ' ' ALA . 3.2 tm? -65.01 -35.61 81.74 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.817 176.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.463 ' HD3' ' C ' ' A' ' 29' ' ' LYS . 1.2 tmtp? -57.1 -39.16 74.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.091 0.472 . . . . 0.0 110.008 175.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 26' ' ' THR . 57.7 t -68.74 -33.32 58.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.513 0.673 . . . . 0.0 110.819 177.555 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.442 ' HB3' HD22 ' A' ' 28' ' ' LEU . 90.6 t80 -65.79 -37.74 87.11 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.753 175.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.442 ' SG ' ' HA ' ' A' ' 39' ' ' LEU . 74.3 m -73.42 -19.53 60.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.834 177.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.39 -39.59 20.48 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.208 0.528 . . . . 0.0 109.947 175.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -69.67 -43.45 72.53 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.499 -178.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.595 ' HB3' HD13 ' A' ' 37' ' ' LEU . 34.1 m-80 -95.92 1.07 52.69 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.299 -179.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 55.14 24.36 6.12 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.694 -173.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.595 HD13 ' HB3' ' A' ' 35' ' ' ASN . 3.4 mp -69.71 163.85 24.77 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.417 0.627 . . . . 0.0 111.76 177.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -87.09 136.14 33.03 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.295 -0.866 . . . . 0.0 108.954 171.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.442 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 0.2 OUTLIER -45.21 -47.45 12.63 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 123.546 0.529 . . . . 0.0 111.043 179.696 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.721 HG23 HD12 ' B' ' 18' ' ' ILE . 9.6 m -62.25 -49.13 76.94 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.512 -179.196 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.593 ' NE2' ' HG ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -57.36 -36.19 70.88 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.024 0.44 . . . . 0.0 110.379 -179.352 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.653 ' HB3' HD11 ' A' ' 28' ' ' LEU . . . -69.12 -45.88 69.07 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.92 178.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.507 ' O ' HG22 ' A' ' 47' ' ' ILE . 1.5 mp -57.03 -45.58 83.95 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-O 120.718 0.294 . . . . 0.0 110.439 175.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.46 ' HA ' HG22 ' A' ' 47' ' ' ILE . 43.3 mt-10 -63.19 -47.2 83.6 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.901 -178.23 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -59.16 -36.99 76.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.826 0.346 . . . . 0.0 110.42 172.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.754 ' HB1' ' HA ' ' B' ' 47' ' ' ILE . . . -63.13 -56.88 13.05 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.586 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.769 ' HA ' ' HB1' ' B' ' 46' ' ' ALA . 19.7 tt -67.8 -27.94 39.74 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.103 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.316 -178.039 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.723 ' HE3' HD23 ' B' ' 24' ' ' LEU . 2.5 tpmt? -69.81 -59.46 2.92 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.407 176.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -62.76 -13.93 38.83 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 177.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.688 ' CD1' ' HA ' ' B' ' 46' ' ' ALA . 53.2 t80 -73.29 -54.15 9.09 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.708 179.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.5 ' HG ' ' HG3' ' B' ' 27' ' ' ARG . 0.2 OUTLIER -57.51 -37.73 73.46 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.003 179.301 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 C--N 1.32 -0.707 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.249 -179.14 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.415 ' O ' ' HA ' ' A' ' 19' ' ' TYR . . . . . . . . 0 N--CA 1.449 -0.518 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.421 HG22 ' CD1' ' A' ' 19' ' ' TYR . 2.2 t -109.72 161.58 7.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 178.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . 0.59 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 1.6 t80 -148.97 130.37 14.74 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 116.231 -0.44 . . . . 0.0 109.849 -177.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . 0.582 ' HA2' ' O ' ' A' ' 16' ' ' PHE . . . -134.69 94.29 0.25 Allowed Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 121.079 -0.581 . . . . 0.0 111.69 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.721 HD12 HG23 ' A' ' 40' ' ' THR . 43.9 pt -126.09 168.8 18.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -174.232 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . 0.422 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 64.9 m-85 -109.75 97.22 6.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.893 176.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 22.6 ptm -108.6 156.77 19.16 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.339 -177.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -60.78 154.9 20.64 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.213 0.53 . . . . 0.0 112.343 -175.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -74.4 -64.7 0.97 Allowed 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.84 -174.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -49.87 -38.24 34.53 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 123.807 0.692 . . . . 0.0 111.411 -176.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . 0.723 HD23 ' HE3' ' A' ' 48' ' ' LYS . 0.7 OUTLIER -69.38 -56.41 7.56 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.715 -179.56 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.442 ' N ' HD13 ' B' ' 24' ' ' LEU . 3.2 ttpm? -62.73 -29.96 71.07 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-O 121.73 0.776 . . . . 0.0 109.534 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . 0.475 ' O ' HG23 ' B' ' 30' ' ' VAL . 22.1 m -74.92 -40.42 60.87 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.532 -1.213 . . . . 0.0 111.046 -177.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.5 ' HG3' ' HG ' ' A' ' 51' ' ' LEU . 12.3 tpp180 -55.72 -47.16 77.36 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.316 0.579 . . . . 0.0 109.983 173.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.633 HD11 ' HB3' ' B' ' 42' ' ' ALA . 3.2 tm? -65.16 -35.36 80.84 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.959 176.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.459 ' HD3' ' C ' ' B' ' 29' ' ' LYS . 1.3 tmtp? -57.35 -39.03 75.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.005 0.431 . . . . 0.0 110.034 175.512 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.475 HG23 ' O ' ' B' ' 26' ' ' THR . 58.9 t -68.8 -33.64 60.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.676 0.75 . . . . 0.0 110.713 177.351 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' TYR . . . . . 0.441 ' HB3' HD22 ' B' ' 28' ' ' LEU . 90.3 t80 -65.63 -37.6 87.04 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.664 176.041 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' CYS . . . . . 0.453 ' SG ' ' HA ' ' B' ' 39' ' ' LEU . 80.9 m -73.62 -19.71 60.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.904 177.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.94 -40.24 20.37 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.284 0.564 . . . . 0.0 109.848 175.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -68.9 -43.94 74.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.366 -178.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . 0.617 ' HB3' HD13 ' B' ' 37' ' ' LEU . 35.5 m-80 -95.62 1.04 53.47 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.225 -179.13 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 55.31 23.8 5.93 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.557 -174.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.617 HD13 ' HB3' ' B' ' 35' ' ' ASN . 3.3 mp -69.36 163.83 24.28 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.389 0.614 . . . . 0.0 111.659 177.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -86.94 136.63 32.87 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.283 -0.871 . . . . 0.0 108.801 171.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.453 ' HA ' ' SG ' ' B' ' 32' ' ' CYS . 0.2 OUTLIER -45.64 -47.19 14.9 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 123.663 0.602 . . . . 0.0 110.964 179.675 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . 0.693 HG23 HD12 ' A' ' 18' ' ' ILE . 10.2 m -62.52 -49.11 76.65 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.567 -179.321 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.589 ' NE2' ' HG ' ' B' ' 37' ' ' LEU . 0.0 OUTLIER -57.21 -36.24 70.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.056 0.455 . . . . 0.0 110.548 -179.597 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.633 ' HB3' HD11 ' B' ' 28' ' ' LEU . . . -68.96 -46.14 68.88 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.842 178.672 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.499 ' O ' HG22 ' B' ' 47' ' ' ILE . 1.5 mp -57.09 -45.58 84.23 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.297 0 CA-C-O 120.541 0.21 . . . . 0.0 110.494 175.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.443 ' HA ' HG22 ' B' ' 47' ' ' ILE . 43.0 mt-10 -63.06 -46.97 84.98 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 -178.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -59.31 -36.74 76.17 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.779 0.324 . . . . 0.0 110.452 172.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.769 ' HB1' ' HA ' ' A' ' 47' ' ' ILE . . . -63.59 -56.77 13.32 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.453 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.754 ' HA ' ' HB1' ' A' ' 46' ' ' ALA . 19.7 tt -67.79 -27.89 39.59 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.033 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.323 -178.207 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.719 ' HE3' HD23 ' A' ' 24' ' ' LEU . 2.5 tpmt? -69.99 -59.29 3.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.442 176.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -62.64 -14.09 39.39 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 177.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' TYR . . . . . 0.675 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 53.4 t80 -73.48 -54.32 8.53 Favored 'General case' 0 N--CA 1.439 -1.024 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.621 179.317 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.502 ' HG ' ' HG3' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -57.26 -37.66 72.69 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.07 179.211 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 C--N 1.321 -0.674 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.477 -178.993 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt . . . . . 0 N--CA 1.481 1.087 0 N-CA-C 111.358 0.132 . . . . 0.0 111.358 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.5 pt20 -69.69 123.24 20.86 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 176.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -107.12 153.68 22.28 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.601 0.715 . . . . 0.0 112.046 -167.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -142.54 168.69 19.14 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.035 173.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.42 HG22 ' CD1' ' B' ' 19' ' ' TYR . 2.2 t -108.97 162.17 6.9 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 178.445 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.557 ' O ' ' HA2' ' B' ' 17' ' ' GLY . 2.6 t80 -150.77 124.03 8.88 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.066 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.545 ' HA2' ' O ' ' B' ' 16' ' ' PHE . . . -129.81 96.02 0.37 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 121.066 -0.587 . . . . 0.0 111.745 -179.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.724 HD12 HG23 ' B' ' 40' ' ' THR . 35.5 pt -125.12 166.81 20.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.979 0.419 . . . . 0.0 112.054 -174.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.44 ' CD1' HG22 ' B' ' 15' ' ' VAL . 62.2 m-85 -107.63 94.32 5.02 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.073 176.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 23.0 ptm -106.4 161.5 14.52 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.933 -178.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.08 155.85 19.41 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.071 0.462 . . . . 0.0 111.332 -178.074 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -76.77 -63.62 1.31 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.478 -175.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -50.05 -39.13 41.01 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 123.811 0.694 . . . . 0.0 111.922 -175.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.701 HD23 ' HE3' ' B' ' 48' ' ' LYS . 0.5 OUTLIER -70.21 -54.98 10.47 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.715 -179.746 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.433 ' N ' HD13 ' A' ' 24' ' ' LEU . 3.4 ttpm? -62.02 -32.84 73.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.714 0.769 . . . . 0.0 109.845 179.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.489 ' O ' HG23 ' A' ' 30' ' ' VAL . 18.4 m -77.81 -33.93 52.27 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.63 -1.168 . . . . 0.0 110.922 -176.181 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.631 ' HG3' ' HG ' ' B' ' 51' ' ' LEU . 12.3 tpp180 -56.42 -50.06 72.75 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.338 0.59 . . . . 0.0 109.432 171.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.759 ' HG ' HD11 ' B' ' 47' ' ' ILE . 3.3 tm? -62.28 -36.06 80.91 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.685 176.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.429 ' HD3' ' C ' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -58.38 -39.87 80.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.198 0.523 . . . . 0.0 110.033 175.643 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 26' ' ' THR . 96.0 t -71.14 -31.73 45.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.641 177.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.468 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 84.4 t80 -63.79 -38.57 91.59 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.547 173.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.478 ' SG ' ' HA ' ' A' ' 39' ' ' LEU . 76.8 m -73.34 -24.13 60.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.806 178.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.23 -36.77 39.47 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.28 0.562 . . . . 0.0 110.051 176.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -72.38 -44.28 62.76 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.431 -178.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.493 ' HB3' HD13 ' A' ' 37' ' ' LEU . 41.5 m-80 -94.46 1.68 55.76 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.792 0.329 . . . . 0.0 110.518 -179.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.3 m120 56.02 24.43 7.76 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.318 -174.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.493 HD13 ' HB3' ' A' ' 35' ' ' ASN . 1.8 mp -72.25 167.23 20.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.466 178.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -87.73 135.72 33.26 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.327 172.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.478 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 0.2 OUTLIER -45.53 -52.04 10.98 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 123.588 0.555 . . . . 0.0 110.864 177.612 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.732 HG23 HD12 ' B' ' 18' ' ' ILE . 3.9 m -59.41 -49.54 77.4 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.521 -179.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.458 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 22.9 tt0 -55.44 -38.05 68.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.66 -179.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.752 ' HB3' HD11 ' A' ' 28' ' ' LEU . . . -69.95 -44.37 69.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.17 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.5 mp -57.72 -46.13 86.8 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.161 0 CA-C-O 120.997 0.427 . . . . 0.0 110.318 175.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.465 ' HA ' HG22 ' A' ' 47' ' ' ILE . 48.0 mt-10 -62.93 -43.47 98.7 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.81 -178.293 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 41' ' ' GLN . 31.5 mm-40 -63.45 -39.02 93.35 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 175.035 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.812 ' HB1' ' HA ' ' B' ' 47' ' ' ILE . . . -62.69 -54.68 35.66 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.653 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.819 ' HA ' ' HB1' ' B' ' 46' ' ' ALA . 6.3 tt -70.57 -26.12 27.98 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.112 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.856 -176.087 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.946 ' HE2' HE22 ' A' ' 52' ' ' GLN . 1.4 tpmt? -68.95 -55.94 9.39 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.496 177.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -70.91 -9.78 58.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.717 -177.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.582 ' CD1' ' HA ' ' B' ' 46' ' ' ALA . 58.8 t80 -80.3 -46.49 16.07 Favored 'General case' 0 N--CA 1.438 -1.049 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.233 178.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.644 ' HG ' ' HG3' ' B' ' 27' ' ' ARG . 0.1 OUTLIER -61.22 -40.44 94.0 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.584 177.65 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.946 HE22 ' HE2' ' A' ' 48' ' ' LYS . 1.9 mp0 -76.24 -28.57 57.2 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.084 -177.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.405 ' HD3' ' HD3' ' B' ' 53' ' ' LYS . 26.9 ttpp -77.46 -16.13 58.94 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.374 0.606 . . . . 0.0 110.027 177.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.412 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 1.8 tpt180 -106.8 -72.81 0.71 Allowed 'General case' 0 N--CA 1.438 -1.043 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.453 -175.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.5 p30 178.9 -61.35 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.52 -175.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.861 -0.966 . . . . 0.0 112.102 -177.105 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt . . . . . 0 N--CA 1.479 0.987 0 CA-C-O 120.295 0.093 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 28.1 pt20 -70.19 123.0 20.55 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 176.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -107.05 153.56 22.43 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.299 0.571 . . . . 0.0 111.946 -167.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -142.36 168.94 18.54 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 114.88 -1.055 . . . . 0.0 108.932 173.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.44 HG22 ' CD1' ' A' ' 19' ' ' TYR . 2.3 t -109.45 161.87 7.52 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 178.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.545 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 2.7 t80 -150.6 124.28 9.13 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.028 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . 0.557 ' HA2' ' O ' ' A' ' 16' ' ' PHE . . . -130.0 95.81 0.36 Allowed Glycine 0 N--CA 1.45 -0.37 0 N-CA-C 111.649 -0.58 . . . . 0.0 111.649 -179.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.732 HD12 HG23 ' A' ' 40' ' ' THR . 36.0 pt -124.94 166.46 20.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.906 0.384 . . . . 0.0 111.971 -174.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . 0.42 ' CD1' HG22 ' A' ' 15' ' ' VAL . 62.0 m-85 -107.32 94.45 5.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.792 176.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 23.2 ptm -106.44 161.41 14.62 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.86 -178.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.97 156.14 18.35 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.256 0.55 . . . . 0.0 111.482 -178.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -77.17 -63.46 1.36 Allowed 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.499 -175.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -49.89 -39.74 40.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 123.924 0.765 . . . . 0.0 111.823 -175.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . 0.667 HD21 HG23 ' A' ' 47' ' ' ILE . 0.6 OUTLIER -69.62 -55.41 10.13 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.763 -179.821 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.441 ' N ' HD13 ' B' ' 24' ' ' LEU . 3.4 ttpm? -61.9 -32.69 73.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.832 0.825 . . . . 0.0 109.821 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . 0.487 ' O ' HG23 ' B' ' 30' ' ' VAL . 19.0 m -78.06 -33.84 50.71 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.674 -1.148 . . . . 0.0 111.094 -176.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.644 ' HG3' ' HG ' ' A' ' 51' ' ' LEU . 12.3 tpp180 -56.29 -49.88 73.01 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 171.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.752 HD11 ' HB3' ' B' ' 42' ' ' ALA . 3.3 tm? -62.47 -36.13 81.5 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.615 176.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.435 ' HD3' ' C ' ' B' ' 29' ' ' LYS . 0.8 OUTLIER -58.24 -40.08 80.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.304 0.573 . . . . 0.0 110.02 175.693 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.487 HG23 ' O ' ' B' ' 26' ' ' THR . 95.0 t -71.06 -31.48 45.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.536 0.684 . . . . 0.0 110.769 177.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' TYR . . . . . 0.466 ' HB3' ' O ' ' B' ' 28' ' ' LEU . 84.6 t80 -64.13 -38.4 90.92 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.586 173.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' CYS . . . . . 0.49 ' SG ' ' HA ' ' B' ' 39' ' ' LEU . 77.0 m -73.17 -24.27 60.53 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.84 177.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.24 -36.8 39.39 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.536 0.684 . . . . 0.0 109.875 177.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -72.45 -44.13 62.8 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.495 -178.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . 0.49 ' HB3' HD13 ' B' ' 37' ' ' LEU . 41.2 m-80 -94.54 1.44 55.67 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.5 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 8.1 m120 56.04 25.02 8.38 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.18 -174.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.49 HD13 ' HB3' ' B' ' 35' ' ' ASN . 1.7 mp -72.86 167.04 21.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.425 178.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -87.75 135.45 33.37 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.128 172.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.49 ' HA ' ' SG ' ' B' ' 32' ' ' CYS . 0.2 OUTLIER -45.09 -52.1 9.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 123.632 0.582 . . . . 0.0 111.13 177.214 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . 0.724 HG23 HD12 ' A' ' 18' ' ' ILE . 4.1 m -59.33 -49.59 77.22 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.289 -179.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.466 ' O ' ' HG2' ' B' ' 45' ' ' GLU . 22.9 tt0 -55.72 -37.75 68.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.727 -178.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.752 ' HB3' HD11 ' B' ' 28' ' ' LEU . . . -70.12 -44.05 69.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.242 179.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 1.5 mp -57.84 -46.49 87.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.968 0.413 . . . . 0.0 110.277 175.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.46 ' HA ' HG22 ' B' ' 47' ' ' ILE . 47.8 mt-10 -62.46 -43.59 98.45 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.951 -178.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' B' ' 41' ' ' GLN . 30.3 mm-40 -63.4 -39.15 93.73 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 174.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.819 ' HB1' ' HA ' ' A' ' 47' ' ' ILE . . . -62.67 -54.76 34.47 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.665 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.812 ' HA ' ' HB1' ' A' ' 46' ' ' ALA . 6.3 tt -70.3 -26.0 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.099 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.889 -176.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.946 ' HE2' HE22 ' B' ' 52' ' ' GLN . 1.4 tpmt? -69.2 -55.72 9.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.962 0.41 . . . . 0.0 110.503 177.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -71.01 -9.92 58.86 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.61 -177.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' TYR . . . . . 0.572 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 59.2 t80 -80.11 -46.54 16.28 Favored 'General case' 0 N--CA 1.439 -1.014 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.326 178.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.631 ' HG ' ' HG3' ' A' ' 27' ' ' ARG . 0.1 OUTLIER -61.25 -40.4 93.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.511 177.661 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.946 HE22 ' HE2' ' B' ' 48' ' ' LYS . 1.8 mp0 -75.97 -28.97 58.08 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.516 -0.473 . . . . 0.0 111.182 -177.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.405 ' HD3' ' HD3' ' A' ' 53' ' ' LYS . 26.9 ttpp -77.15 -16.44 59.14 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.384 0.611 . . . . 0.0 109.946 177.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.408 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 1.8 tpt180 -106.52 -73.45 0.69 Allowed 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.292 -175.11 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 4.8 p30 179.34 -61.4 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.544 -175.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.832 0 CA-C-O 118.931 -0.927 . . . . 0.0 111.847 -177.064 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? . . . . . 0 N--CA 1.479 0.997 0 CA-C-O 121.102 0.477 . . . . 0.0 110.719 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.536 ' O ' ' HA ' ' B' ' 21' ' ' ASP . 3.8 pt20 -82.72 118.37 23.32 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 169.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -111.5 149.02 31.94 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-O 121.892 0.853 . . . . 0.0 112.905 -161.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -139.88 166.34 24.9 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.159 -1.382 . . . . 0.0 108.749 171.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.403 HG22 ' CD1' ' B' ' 19' ' ' TYR . 2.4 t -104.78 161.24 4.88 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.979 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.567 ' O ' ' HA2' ' B' ' 17' ' ' GLY . 3.3 t80 -150.98 122.01 7.67 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.63 -179.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.559 ' HA2' ' O ' ' B' ' 16' ' ' PHE . . . -130.36 94.53 0.33 Allowed Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 111.631 -0.587 . . . . 0.0 111.631 -178.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.709 HD12 HG23 ' B' ' 40' ' ' THR . 43.0 pt -124.26 172.5 11.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.956 0.408 . . . . 0.0 111.618 -173.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.422 ' CD1' HG22 ' B' ' 15' ' ' VAL . 68.4 m-85 -115.95 98.55 6.71 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.975 178.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.432 ' HB2' ' HG2' ' B' ' 44' ' ' GLU . 21.6 ptm -110.2 163.88 13.19 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.354 -175.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.544 ' HA ' ' O ' ' B' ' 12' ' ' GLN . 2.7 m-20 -62.94 155.49 27.16 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.075 0.464 . . . . 0.0 111.647 -178.022 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -75.15 -66.21 0.79 Allowed 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.52 -178.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -48.32 -31.77 6.49 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 123.648 0.592 . . . . 0.0 112.135 -175.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.666 HD21 HG23 ' B' ' 47' ' ' ILE . 0.6 OUTLIER -78.56 -55.37 5.25 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.767 -179.67 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -62.19 -33.38 74.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.81 0.814 . . . . 0.0 109.805 178.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.494 ' O ' HG23 ' A' ' 30' ' ' VAL . 54.6 m -77.4 -33.47 55.04 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.625 -1.17 . . . . 0.0 110.361 -176.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.727 ' HG3' ' HG ' ' B' ' 51' ' ' LEU . 17.8 tpp180 -54.08 -53.25 55.77 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.767 0.794 . . . . 0.0 109.38 171.206 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.719 ' HG ' HD11 ' B' ' 47' ' ' ILE . 3.2 tm? -61.7 -36.98 82.47 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.665 -1.152 . . . . 0.0 111.425 175.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.438 ' HD3' ' C ' ' A' ' 29' ' ' LYS . 13.1 tmtt? -55.64 -43.36 76.16 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.092 0.472 . . . . 0.0 110.268 176.168 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 26' ' ' THR . 91.2 t -67.0 -33.32 62.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.598 178.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.448 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 91.3 t80 -64.45 -38.73 92.04 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.763 175.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.434 ' SG ' ' HA ' ' A' ' 39' ' ' LEU . 77.3 m -75.1 -26.32 59.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.28 179.076 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.88 -37.3 40.54 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.284 0.564 . . . . 0.0 110.277 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -78.25 -38.4 42.97 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.632 -176.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.501 ' HB3' HD13 ' A' ' 37' ' ' LEU . 44.0 m-80 -94.63 0.4 55.11 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.863 0.363 . . . . 0.0 110.494 178.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.1 m120 58.2 23.27 10.08 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.765 -174.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.538 ' HG ' ' NE2' ' A' ' 41' ' ' GLN . 1.9 mp -73.11 165.7 24.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.195 179.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -89.13 133.08 34.53 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.311 175.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.495 HD12 ' CZ ' ' B' ' 16' ' ' PHE . 0.1 OUTLIER -47.65 -51.52 21.23 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 123.578 0.549 . . . . 0.0 110.798 177.733 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.726 HG23 HD12 ' B' ' 18' ' ' ILE . 14.5 m -61.65 -48.61 80.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.292 -179.186 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.538 ' NE2' ' HG ' ' A' ' 37' ' ' LEU . 24.8 tt0 -54.28 -40.93 68.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.64 178.263 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.71 ' HB3' HD11 ' A' ' 28' ' ' LEU . . . -66.48 -44.66 82.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.954 -179.231 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.486 HG21 HD11 ' B' ' 18' ' ' ILE . 1.5 mp -58.74 -46.56 90.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.902 0.382 . . . . 0.0 110.602 175.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.455 ' HG2' ' HB2' ' B' ' 20' ' ' MET . 45.7 mt-10 -62.26 -44.27 96.92 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.771 -179.079 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -64.41 -38.38 90.84 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.112 0.482 . . . . 0.0 109.807 175.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.784 ' HB1' ' HA ' ' B' ' 47' ' ' ILE . . . -61.86 -54.42 42.26 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.801 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.799 ' HA ' ' HB1' ' B' ' 46' ' ' ALA . 8.2 tt -70.77 -24.51 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.199 0 CA-C-N 115.054 -0.975 . . . . 0.0 110.608 -176.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.687 ' HE3' HD23 ' B' ' 24' ' ' LEU . 2.3 tpmt? -68.28 -59.89 2.86 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.572 176.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.628 ' HB3' ' HE2' ' B' ' 53' ' ' LYS . 1.1 mp0 -63.69 -17.11 62.63 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.045 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.631 ' CD1' ' HA ' ' B' ' 46' ' ' ALA . 56.8 t80 -74.18 -46.92 39.09 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.321 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.721 ' HG ' ' HG3' ' B' ' 27' ' ' ARG . 0.2 OUTLIER -62.83 -39.09 93.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.716 176.292 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.435 HE22 ' HE2' ' A' ' 48' ' ' LYS . 2.1 mp0 -75.26 -29.42 60.18 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.755 0.312 . . . . 0.0 111.447 -177.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.648 ' HE2' ' HB3' ' B' ' 49' ' ' GLU . 25.2 ttpp -79.7 -19.8 48.05 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.22 0.533 . . . . 0.0 110.131 177.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 2.1 tpt180 -100.31 -70.57 0.73 Allowed 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.647 -175.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.9 p30 179.12 -58.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.899 -178.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.184 0 CA-C-O 118.539 -1.145 . . . . 0.0 111.902 -178.954 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? . . . . . 0 N--CA 1.48 1.028 0 CA-C-O 121.118 0.485 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . 0.544 ' O ' ' HA ' ' A' ' 21' ' ' ASP . 3.8 pt20 -82.44 118.55 23.3 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 169.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -111.82 148.65 33.12 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 121.882 0.849 . . . . 0.0 112.839 -161.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -139.61 165.73 26.48 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.255 -1.339 . . . . 0.0 108.801 171.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.422 HG22 ' CD1' ' A' ' 19' ' ' TYR . 2.4 t -104.11 161.59 4.52 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.559 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 3.3 t80 -151.26 122.28 7.66 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . 0.567 ' HA2' ' O ' ' A' ' 16' ' ' PHE . . . -130.62 95.04 0.32 Allowed Glycine 0 N--CA 1.451 -0.358 0 N-CA-C 111.534 -0.626 . . . . 0.0 111.534 -178.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.726 HD12 HG23 ' A' ' 40' ' ' THR . 43.1 pt -124.34 172.87 11.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.81 0.338 . . . . 0.0 111.666 -174.038 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . 0.403 ' CD1' HG22 ' A' ' 15' ' ' VAL . 68.2 m-85 -116.37 98.04 6.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.079 178.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . 0.455 ' HB2' ' HG2' ' A' ' 44' ' ' GLU . 21.5 ptm -109.63 164.08 12.87 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.38 -175.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.536 ' HA ' ' O ' ' A' ' 12' ' ' GLN . 2.8 m-20 -62.85 155.54 26.71 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.015 0.436 . . . . 0.0 111.721 -178.326 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -75.33 -66.51 0.76 Allowed 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.416 -178.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -48.19 -31.24 5.49 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 123.649 0.593 . . . . 0.0 112.241 -175.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . 0.687 HD23 ' HE3' ' A' ' 48' ' ' LYS . 0.6 OUTLIER -79.13 -55.54 5.03 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.732 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -61.8 -33.83 74.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.74 0.781 . . . . 0.0 109.69 178.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . 0.489 ' O ' HG23 ' B' ' 30' ' ' VAL . 53.6 m -76.92 -33.37 57.74 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.632 -1.167 . . . . 0.0 110.419 -176.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.721 ' HG3' ' HG ' ' A' ' 51' ' ' LEU . 17.4 tpp180 -54.31 -53.17 57.42 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.731 0.777 . . . . 0.0 109.214 171.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.715 ' HG ' HD11 ' A' ' 47' ' ' ILE . 3.2 tm? -61.72 -36.97 82.49 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.631 -1.168 . . . . 0.0 111.395 175.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.451 ' HD3' ' C ' ' B' ' 29' ' ' LYS . 13.1 tmtt? -55.67 -43.28 76.18 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.141 0.496 . . . . 0.0 110.288 176.063 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.489 HG23 ' O ' ' B' ' 26' ' ' THR . 89.5 t -66.94 -33.27 62.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.75 178.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' TYR . . . . . 0.455 ' HB3' ' O ' ' B' ' 28' ' ' LEU . 91.2 t80 -64.52 -38.98 92.88 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.629 175.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' CYS . . . . . 0.436 ' SG ' ' HA ' ' B' ' 39' ' ' LEU . 77.6 m -75.18 -26.05 58.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.315 179.205 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.07 -37.52 38.67 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.383 0.611 . . . . 0.0 110.194 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -77.82 -38.46 46.28 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.597 -176.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . 0.484 ' HB3' HD13 ' B' ' 37' ' ' LEU . 44.2 m-80 -94.62 0.42 55.12 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.43 178.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 16.5 m120 58.23 23.13 9.97 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.893 -174.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.529 ' HG ' ' NE2' ' B' ' 41' ' ' GLN . 1.9 mp -72.98 165.64 24.6 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.258 179.181 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -89.32 132.66 34.83 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.337 176.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.496 HD12 ' CZ ' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -47.34 -51.51 19.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 123.598 0.561 . . . . 0.0 110.743 177.895 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . 0.709 HG23 HD12 ' A' ' 18' ' ' ILE . 11.6 m -61.59 -48.82 79.19 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.286 -179.08 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.529 ' NE2' ' HG ' ' B' ' 37' ' ' LEU . 24.7 tt0 -54.25 -40.76 68.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.461 178.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.705 ' HB3' HD11 ' B' ' 28' ' ' LEU . . . -66.58 -44.69 81.55 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.985 -179.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.489 HG21 HD11 ' A' ' 18' ' ' ILE . 1.5 mp -58.8 -46.61 90.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.83 0.348 . . . . 0.0 110.459 175.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.432 ' HG2' ' HB2' ' A' ' 20' ' ' MET . 45.2 mt-10 -62.23 -43.81 97.98 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.896 -179.034 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -64.73 -38.45 91.03 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.16 0.505 . . . . 0.0 109.794 174.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.799 ' HB1' ' HA ' ' A' ' 47' ' ' ILE . . . -61.81 -54.43 42.36 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.857 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.784 ' HA ' ' HB1' ' A' ' 46' ' ' ALA . 8.2 tt -70.75 -24.27 24.82 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.216 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.626 -176.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.659 ' HE3' HD23 ' A' ' 24' ' ' LEU . 2.3 tpmt? -68.54 -59.74 2.92 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.524 176.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.648 ' HB3' ' HE2' ' A' ' 53' ' ' LYS . 1.0 OUTLIER -63.91 -16.89 62.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.948 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' TYR . . . . . 0.62 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 56.5 t80 -74.39 -46.82 37.86 Favored 'General case' 0 N--CA 1.438 -1.04 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.305 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.727 ' HG ' ' HG3' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -62.77 -39.17 93.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.706 176.365 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.452 HE22 ' HE2' ' B' ' 48' ' ' LYS . 2.1 mp0 -75.59 -28.9 59.1 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.616 -177.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.628 ' HE2' ' HB3' ' A' ' 49' ' ' GLU . 25.1 ttpp -79.92 -19.81 47.21 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.319 0.58 . . . . 0.0 110.145 176.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 2.1 tpt180 -100.23 -70.71 0.73 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.797 -175.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 5.5 p30 179.44 -58.15 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.849 -178.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.5 -1.167 . . . . 0.0 111.951 -179.003 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.0 pttm . . . . . 0 N--CA 1.479 0.988 0 CA-C-O 120.564 0.221 . . . . 0.0 111.294 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.497 ' O ' ' HA ' ' B' ' 21' ' ' ASP . 10.6 mt-30 -92.37 146.14 23.92 Favored 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 171.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.2 pptp? -121.31 133.52 55.13 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-O 121.751 0.786 . . . . 0.0 111.63 -172.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.442 ' O ' ' HA ' ' B' ' 19' ' ' TYR . . . -121.08 172.16 8.15 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.48 -1.236 . . . . 0.0 108.834 177.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.434 HG22 ' CD1' ' B' ' 19' ' ' TYR . 2.1 t -110.81 158.87 11.1 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.534 ' O ' ' HA2' ' B' ' 17' ' ' GLY . 3.3 t80 -151.38 118.48 5.9 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 -178.211 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.553 ' HA2' ' O ' ' B' ' 16' ' ' PHE . . . -125.54 96.56 0.5 Allowed Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 111.463 -0.655 . . . . 0.0 111.463 -178.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.744 HD12 HG23 ' B' ' 40' ' ' THR . 35.9 pt -123.72 166.78 18.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.967 0.413 . . . . 0.0 111.875 -174.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.441 ' HA ' ' O ' ' B' ' 14' ' ' ALA . 66.6 m-85 -106.61 95.67 5.91 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.072 175.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.536 ' HB2' ' HG2' ' B' ' 44' ' ' GLU . 23.8 ptm -107.54 159.91 16.07 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.001 -178.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.503 ' HA ' ' O ' ' B' ' 12' ' ' GLN . 0.8 OUTLIER -57.73 155.62 9.83 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.204 0.526 . . . . 0.0 111.207 -179.765 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -79.93 -61.27 2.04 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.886 -177.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -46.84 -37.73 9.18 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.112 0.882 . . . . 0.0 112.0 -176.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.699 HD11 ' CG2' ' B' ' 47' ' ' ILE . 0.5 OUTLIER -76.82 -53.18 8.25 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.852 -178.503 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.438 ' HD2' ' CD1' ' B' ' 16' ' ' PHE . 3.5 ttpm? -60.29 -33.19 72.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.669 0.747 . . . . 0.0 109.586 177.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.518 ' O ' HG23 ' A' ' 30' ' ' VAL . 32.3 m -75.5 -34.68 60.86 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.634 -1.167 . . . . 0.0 110.705 -178.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.629 ' HG3' ' HG ' ' B' ' 51' ' ' LEU . 15.6 tpp180 -56.65 -50.59 71.61 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.425 0.631 . . . . 0.0 109.765 172.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.751 HD11 ' HB3' ' A' ' 42' ' ' ALA . 3.2 tm? -62.46 -34.65 77.24 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.87 175.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.459 ' HD3' ' C ' ' A' ' 29' ' ' LYS . 1.1 tmtp? -57.77 -40.48 79.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.188 0.518 . . . . 0.0 109.96 175.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 26' ' ' THR . 96.6 t -67.31 -33.44 62.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.611 0.72 . . . . 0.0 110.731 177.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.444 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 78.3 t80 -65.52 -39.05 91.35 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.846 175.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.514 ' SG ' ' HA ' ' A' ' 39' ' ' LEU . 76.9 m -74.4 -22.9 58.94 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.916 179.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.32 -37.94 27.55 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.339 0.59 . . . . 0.0 110.176 176.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.434 ' HB2' ' HZ2' ' A' ' 34' ' ' LYS . 4.4 ttmp? -71.01 -43.45 67.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.25 -178.257 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.636 ' HB3' HD13 ' A' ' 37' ' ' LEU . 34.6 m-80 -94.74 0.65 55.15 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.315 -179.111 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 55.88 25.05 8.13 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.335 -173.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.636 HD13 ' HB3' ' A' ' 35' ' ' ASN . 2.3 mp -74.62 166.34 23.73 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.301 0.572 . . . . 0.0 111.515 179.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -84.57 134.63 34.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.611 174.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.514 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 0.1 OUTLIER -48.37 -50.28 31.24 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 123.605 0.566 . . . . 0.0 110.809 177.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.76 HG23 HD12 ' B' ' 18' ' ' ILE . 11.4 m -63.16 -48.66 77.47 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.342 -178.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.484 ' NE2' ' HG ' ' A' ' 37' ' ' LEU . 18.6 tt0 -53.56 -40.71 65.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.198 179.037 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.751 ' HB3' HD11 ' A' ' 28' ' ' LEU . . . -66.27 -45.88 78.97 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.125 -179.388 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.5 ' O ' HG22 ' A' ' 47' ' ' ILE . 1.5 mp -57.03 -47.03 84.26 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.204 0 CA-C-O 120.796 0.331 . . . . 0.0 110.557 176.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.522 ' HG2' ' HB2' ' B' ' 20' ' ' MET . 43.6 mt-10 -62.1 -44.87 95.72 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.097 -177.21 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 41' ' ' GLN . 7.1 mm-40 -68.33 -30.93 70.01 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 176.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.796 ' HB1' ' HA ' ' B' ' 47' ' ' ILE . . . -65.19 -56.87 10.39 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.523 177.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.806 ' HA ' ' HB1' ' B' ' 46' ' ' ALA . 17.2 tt -65.31 -29.68 47.95 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.148 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.956 -177.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.494 ' HE3' HD23 ' B' ' 24' ' ' LEU . 4.4 tppp? -66.51 -57.61 6.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.056 177.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -69.12 -11.0 60.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.763 -178.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.657 ' CD1' ' HA ' ' B' ' 46' ' ' ALA . 67.0 t80 -76.74 -46.26 26.01 Favored 'General case' 0 N--CA 1.439 -0.981 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.277 176.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.616 ' HG ' ' HG3' ' B' ' 27' ' ' ARG . 0.2 OUTLIER -61.77 -38.38 87.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.251 176.704 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.64 -28.18 58.69 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.797 -178.138 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -76.78 -19.43 57.6 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.181 176.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.415 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 0.3 OUTLIER -108.22 -71.88 0.74 Allowed 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 115.509 -0.768 . . . . 0.0 111.047 -171.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.8 p30 178.23 -62.21 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.277 0.631 . . . . 0.0 110.767 -177.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.919 0 CA-C-O 118.434 -1.203 . . . . 0.0 112.57 -179.641 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 26.1 pttm . . . . . 0 N--CA 1.479 1.02 0 CA-C-O 120.514 0.197 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . 0.503 ' O ' ' HA ' ' A' ' 21' ' ' ASP . 10.8 mt-30 -92.23 146.29 23.82 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 172.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 3.2 pptp? -121.89 132.9 54.81 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-O 121.681 0.753 . . . . 0.0 111.634 -172.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.441 ' O ' ' HA ' ' A' ' 19' ' ' TYR . . . -120.6 172.36 7.91 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 114.681 -1.145 . . . . 0.0 108.783 177.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.439 HG22 ' CD1' ' A' ' 19' ' ' TYR . 2.0 t -110.63 159.04 10.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 178.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.553 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 3.5 t80 -151.35 118.47 5.91 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -178.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . 0.534 ' HA2' ' O ' ' A' ' 16' ' ' PHE . . . -125.19 96.77 0.51 Allowed Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 111.517 -0.633 . . . . 0.0 111.517 -179.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.76 HD12 HG23 ' A' ' 40' ' ' THR . 37.1 pt -123.85 166.22 19.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.99 0.424 . . . . 0.0 111.944 -174.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . 0.442 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 66.2 m-85 -106.35 95.46 5.78 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.949 175.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . 0.522 ' HB2' ' HG2' ' A' ' 44' ' ' GLU . 24.0 ptm -107.4 160.12 15.88 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.918 -178.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.497 ' HA ' ' O ' ' A' ' 12' ' ' GLN . 0.8 OUTLIER -58.13 155.72 10.74 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 121.214 0.53 . . . . 0.0 111.24 -179.683 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -79.92 -61.53 1.96 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.876 -177.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -46.58 -37.56 8.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.105 0.878 . . . . 0.0 112.03 -176.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . 0.673 HD11 ' CG2' ' A' ' 47' ' ' ILE . 0.5 OUTLIER -76.84 -53.57 7.73 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.87 -178.643 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.436 ' N ' HD13 ' B' ' 24' ' ' LEU . 3.5 ttpm? -59.99 -33.26 71.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.861 0.838 . . . . 0.0 109.698 177.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . 0.497 ' O ' HG23 ' B' ' 30' ' ' VAL . 41.9 m -75.28 -34.73 61.36 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.435 -1.257 . . . . 0.0 110.829 -178.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.616 ' HG3' ' HG ' ' A' ' 51' ' ' LEU . 15.5 tpp180 -56.8 -50.42 72.4 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.396 0.617 . . . . 0.0 109.783 172.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.748 HD11 ' HB3' ' B' ' 42' ' ' ALA . 3.2 tm? -62.37 -34.78 77.36 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.947 175.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.455 ' HD3' ' C ' ' B' ' 29' ' ' LYS . 1.1 tmtp? -57.83 -40.59 80.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.175 0.512 . . . . 0.0 109.916 175.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.497 HG23 ' O ' ' B' ' 26' ' ' THR . 95.8 t -67.04 -33.77 65.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.724 0.773 . . . . 0.0 110.761 177.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' TYR . . . . . 0.448 ' HB3' ' O ' ' B' ' 28' ' ' LEU . 78.2 t80 -65.44 -38.96 91.4 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.862 175.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' CYS . . . . . 0.522 ' SG ' ' HA ' ' B' ' 39' ' ' LEU . 76.9 m -74.43 -22.99 58.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.954 179.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.1 -38.66 26.91 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.27 0.557 . . . . 0.0 110.118 176.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.437 ' HB2' ' HZ2' ' B' ' 34' ' ' LYS . 4.4 ttmp? -70.22 -43.45 70.61 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.302 -178.236 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . 0.639 ' HB3' HD13 ' B' ' 37' ' ' LEU . 33.8 m-80 -94.8 0.69 55.1 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.287 -178.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 55.9 25.28 8.42 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.185 -173.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.639 HD13 ' HB3' ' B' ' 35' ' ' ASN . 2.4 mp -74.8 166.07 24.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.52 179.431 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -84.16 134.71 34.56 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.611 174.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.522 ' HA ' ' SG ' ' B' ' 32' ' ' CYS . 0.1 OUTLIER -48.54 -50.63 31.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 123.559 0.537 . . . . 0.0 110.743 177.814 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . 0.744 HG23 HD12 ' A' ' 18' ' ' ILE . 12.9 m -62.66 -48.73 78.06 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.412 -178.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.49 ' NE2' ' HG ' ' B' ' 37' ' ' LEU . 18.4 tt0 -53.41 -40.77 65.35 Favored 'General case' 0 N--CA 1.456 -0.13 0 O-C-N 123.444 0.465 . . . . 0.0 110.437 178.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.748 ' HB3' HD11 ' B' ' 28' ' ' LEU . . . -66.03 -46.11 79.07 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.084 -179.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.514 ' O ' HG22 ' B' ' 47' ' ' ILE . 1.5 mp -56.99 -47.07 84.05 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.182 0 O-C-N 123.114 0.259 . . . . 0.0 110.555 176.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.536 ' HG2' ' HB2' ' A' ' 20' ' ' MET . 43.3 mt-10 -62.01 -44.83 95.88 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.239 -177.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' B' ' 41' ' ' GLN . 7.1 mm-40 -68.4 -30.92 69.95 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 176.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.806 ' HB1' ' HA ' ' A' ' 47' ' ' ILE . . . -65.1 -56.88 10.43 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 121.432 0.634 . . . . 0.0 110.553 177.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.796 ' HA ' ' HB1' ' A' ' 46' ' ' ALA . 17.4 tt -65.31 -29.53 47.5 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.139 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.186 -178.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.503 ' HE3' HD23 ' A' ' 24' ' ' LEU . 4.4 tppp? -66.71 -57.47 7.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.034 177.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -69.35 -10.84 59.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.665 -178.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' TYR . . . . . 0.655 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 66.9 t80 -76.7 -46.31 26.06 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.284 176.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.629 ' HG ' ' HG3' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -61.78 -38.49 88.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.14 176.871 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.21 -28.78 60.11 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.173 0.511 . . . . 0.0 110.738 -178.266 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -76.4 -19.46 58.1 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.38 176.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.411 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 0.3 OUTLIER -108.01 -72.34 0.73 Allowed 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.834 -171.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 4.7 p30 178.48 -61.84 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.293 0.637 . . . . 0.0 110.987 -177.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.08 0 CA-C-O 118.593 -1.115 . . . . 0.0 112.579 179.98 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.8 tptt . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 121.457 0.646 . . . . 0.0 110.014 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.688 ' HG3' ' HB3' ' B' ' 22' ' ' LYS . 4.5 pt20 -85.76 133.2 34.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.752 178.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.9 pttt -108.22 155.32 20.6 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.274 0.559 . . . . 0.0 111.556 -174.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -139.55 168.54 19.58 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.401 178.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.473 HG22 ' CD1' ' B' ' 19' ' ' TYR . 2.1 t -108.36 160.89 7.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 179.15 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.536 ' O ' ' HA2' ' B' ' 17' ' ' GLY . 1.4 t80 -149.39 124.47 10.06 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -179.115 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.522 ' HA2' ' O ' ' B' ' 16' ' ' PHE . . . -128.67 93.52 0.35 Allowed Glycine 0 N--CA 1.449 -0.49 0 N-CA-C 111.329 -0.708 . . . . 0.0 111.329 179.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.79 HD12 HG23 ' B' ' 40' ' ' THR . 43.6 pt -123.75 165.83 19.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.969 0.414 . . . . 0.0 111.74 -174.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.465 ' CD1' HG22 ' B' ' 15' ' ' VAL . 74.2 m-85 -108.89 93.29 4.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.888 175.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.503 ' HB2' ' HG2' ' B' ' 44' ' ' GLU . 24.3 ptm -105.27 157.49 17.27 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.813 -177.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.98 150.09 14.16 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 121.479 0.657 . . . . 0.0 111.185 -179.233 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.737 ' HB3' ' HG3' ' B' ' 12' ' ' GLN . 3.6 ttmp? -78.88 -59.67 2.69 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.992 -174.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -48.89 -36.12 16.39 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 123.93 0.769 . . . . 0.0 111.911 -177.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.686 HD11 HG23 ' B' ' 47' ' ' ILE . 0.2 OUTLIER -72.93 -57.88 3.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.449 178.634 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.464 ' HD2' ' CD1' ' B' ' 16' ' ' PHE . 3.0 ttpm? -58.31 -33.94 70.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.661 0.743 . . . . 0.0 109.959 178.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.537 ' O ' HG23 ' A' ' 30' ' ' VAL . 45.9 m -77.38 -30.83 53.89 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.722 -177.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.6 ' HG3' ' HG ' ' B' ' 51' ' ' LEU . 18.4 tpp180 -58.72 -54.01 51.91 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.595 0.712 . . . . 0.0 109.307 172.001 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.75 HD11 ' HB3' ' A' ' 42' ' ' ALA . 3.1 tm? -58.3 -36.34 73.2 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 114.842 -1.072 . . . . 0.0 111.378 174.019 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.445 ' HD3' ' C ' ' A' ' 29' ' ' LYS . 1.3 tmtp? -56.8 -42.68 79.93 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.092 0.472 . . . . 0.0 110.018 176.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 26' ' ' THR . 74.5 t -66.4 -33.54 64.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.389 0.614 . . . . 0.0 110.517 177.349 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.459 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 88.4 t80 -64.58 -37.55 87.93 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.333 -0.848 . . . . 0.0 109.59 175.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.497 ' SG ' ' HA ' ' A' ' 39' ' ' LEU . 81.3 m -74.88 -24.74 58.6 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.035 177.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.23 -33.57 32.76 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.171 0.51 . . . . 0.0 110.299 178.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -75.24 -43.58 50.85 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.42 -179.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.619 ' HB3' HD13 ' A' ' 37' ' ' LEU . 43.1 m-80 -94.34 1.61 55.87 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.358 -179.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 56.0 23.83 7.12 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.122 -174.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.619 HD13 ' HB3' ' A' ' 35' ' ' ASN . 2.5 mp -72.75 164.28 26.79 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.028 178.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.485 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . 47.9 mt-30 -85.03 134.65 34.21 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.268 175.189 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.497 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 0.2 OUTLIER -46.23 -52.78 11.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 123.493 0.495 . . . . 0.0 110.938 177.811 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.817 HG23 HD12 ' B' ' 18' ' ' ILE . 6.4 m -58.8 -49.1 78.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.476 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.485 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 17.9 tt0 -54.21 -39.43 66.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.699 -179.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.75 ' HB3' HD11 ' A' ' 28' ' ' LEU . . . -70.86 -42.75 69.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.991 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.5 mp -57.88 -45.83 87.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.965 0.412 . . . . 0.0 110.388 175.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.472 ' HG2' ' HB2' ' B' ' 20' ' ' MET . 46.0 mt-10 -63.29 -44.71 94.28 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.944 -178.415 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -65.35 -35.19 80.21 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 175.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.79 ' HB1' ' HA ' ' B' ' 47' ' ' ILE . . . -63.67 -55.14 25.73 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.608 178.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.819 ' HA ' ' HB1' ' B' ' 46' ' ' ALA . 7.0 tt -70.3 -25.11 26.61 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.18 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.985 -176.027 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.612 ' HE2' HE22 ' A' ' 52' ' ' GLN . 0.6 OUTLIER -71.83 -55.03 8.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.941 178.285 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.669 ' HB3' ' HE2' ' B' ' 53' ' ' LYS . 7.5 mt-10 -69.24 -11.7 61.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.553 -179.281 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.604 ' CD1' ' HA ' ' B' ' 46' ' ' ALA . 62.6 t80 -77.32 -47.61 19.54 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.785 176.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.609 ' HG ' ' HG3' ' B' ' 27' ' ' ARG . 0.2 OUTLIER -59.68 -39.16 83.59 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.041 175.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.612 HE22 ' HE2' ' A' ' 48' ' ' LYS . 1.2 mp0 -72.51 -38.46 68.08 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.246 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.807 ' HD3' ' HD3' ' B' ' 53' ' ' LYS . 24.9 ttpp -74.18 -14.7 60.99 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.211 0.529 . . . . 0.0 110.406 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.446 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 2.8 tpt180 -104.14 -69.84 0.79 Allowed 'General case' 0 N--CA 1.439 -1.018 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.028 -177.215 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -174.17 -66.12 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.258 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.806 -0.997 . . . . 0.0 112.505 -179.372 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 50.2 tptt . . . . . 0 N--CA 1.478 0.956 0 CA-C-O 121.475 0.655 . . . . 0.0 109.878 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . 0.737 ' HG3' ' HB3' ' A' ' 22' ' ' LYS . 4.5 pt20 -85.49 133.17 34.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.759 178.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -108.39 155.34 20.67 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.41 0.624 . . . . 0.0 111.541 -174.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -139.42 168.23 20.3 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.477 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.465 HG22 ' CD1' ' A' ' 19' ' ' TYR . 2.1 t -108.07 160.4 7.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.113 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.522 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 1.4 t80 -148.97 124.11 10.12 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 -179.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . 0.536 ' HA2' ' O ' ' A' ' 16' ' ' PHE . . . -128.46 93.82 0.36 Allowed Glycine 0 N--CA 1.449 -0.443 0 N-CA-C 111.522 -0.631 . . . . 0.0 111.522 179.297 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.817 HD12 HG23 ' A' ' 40' ' ' THR . 43.7 pt -123.92 165.82 19.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.892 0.377 . . . . 0.0 111.824 -174.265 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . 0.473 ' CD1' HG22 ' A' ' 15' ' ' VAL . 74.0 m-85 -109.07 93.22 4.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.875 175.197 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . 0.472 ' HB2' ' HG2' ' A' ' 44' ' ' GLU . 24.5 ptm -105.1 157.51 17.2 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.848 -177.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.04 150.11 14.3 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.382 0.611 . . . . 0.0 111.29 -179.338 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.688 ' HB3' ' HG3' ' A' ' 12' ' ' GLN . 3.5 ttmp? -79.0 -59.64 2.7 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.018 -174.36 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -48.56 -36.26 15.1 Favored 'General case' 0 C--N 1.322 -0.605 0 O-C-N 123.946 0.779 . . . . 0.0 111.85 -177.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . 0.663 HD11 HG23 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -73.06 -57.86 3.73 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.537 178.771 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.467 ' HD2' ' CD1' ' A' ' 16' ' ' PHE . 3.0 ttpm? -58.43 -33.74 70.04 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.641 0.734 . . . . 0.0 110.008 178.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . 0.53 ' O ' HG23 ' B' ' 30' ' ' VAL . 44.7 m -77.26 -30.98 54.65 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.867 -1.061 . . . . 0.0 110.658 -177.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.609 ' HG3' ' HG ' ' A' ' 51' ' ' LEU . 18.4 tpp180 -58.79 -54.04 51.55 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.508 0.671 . . . . 0.0 109.241 172.241 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.728 HD11 ' HB3' ' B' ' 42' ' ' ALA . 3.1 tm? -58.28 -36.41 73.24 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.419 174.036 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.453 ' HD3' ' C ' ' B' ' 29' ' ' LYS . 1.3 tmtp? -56.7 -42.61 79.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.036 0.446 . . . . 0.0 110.128 176.261 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.53 HG23 ' O ' ' B' ' 26' ' ' THR . 76.9 t -66.41 -33.52 64.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.496 0.665 . . . . 0.0 110.519 177.241 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' TYR . . . . . 0.464 ' HB3' ' O ' ' B' ' 28' ' ' LEU . 88.1 t80 -64.57 -37.71 88.51 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.631 175.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' CYS . . . . . 0.512 ' SG ' ' HA ' ' B' ' 39' ' ' LEU . 82.4 m -75.05 -24.28 58.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.022 178.178 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.27 -33.9 32.4 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.231 0.539 . . . . 0.0 110.279 178.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -75.02 -43.54 53.08 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.355 -0.838 . . . . 0.0 111.461 -179.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . 0.62 ' HB3' HD13 ' B' ' 37' ' ' LEU . 46.7 m-80 -94.23 1.4 56.01 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.89 0.376 . . . . 0.0 110.26 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 55.75 24.94 7.75 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.955 -174.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.62 HD13 ' HB3' ' B' ' 35' ' ' ASN . 2.5 mp -73.66 164.35 26.77 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.051 178.382 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.502 ' HB2' ' HB2' ' B' ' 41' ' ' GLN . 48.0 mt-30 -84.87 134.85 34.27 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.32 175.147 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.512 ' HA ' ' SG ' ' B' ' 32' ' ' CYS . 0.2 OUTLIER -46.64 -52.58 13.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 123.471 0.482 . . . . 0.0 110.839 178.073 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . 0.79 HG23 HD12 ' A' ' 18' ' ' ILE . 6.1 m -58.83 -48.81 80.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.533 -179.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.502 ' HB2' ' HB2' ' B' ' 38' ' ' GLN . 18.2 tt0 -54.43 -39.47 67.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.564 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.728 ' HB3' HD11 ' B' ' 28' ' ' LEU . . . -70.93 -42.67 69.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.887 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 1.5 mp -58.18 -45.55 88.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 121.136 0.493 . . . . 0.0 110.451 175.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.503 ' HG2' ' HB2' ' A' ' 20' ' ' MET . 45.2 mt-10 -63.61 -44.46 93.9 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.921 -178.335 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -65.53 -35.15 80.0 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.928 0.395 . . . . 0.0 109.969 175.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.819 ' HB1' ' HA ' ' A' ' 47' ' ' ILE . . . -63.57 -54.95 27.97 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.815 178.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.79 ' HA ' ' HB1' ' A' ' 46' ' ' ALA . 6.9 tt -70.43 -25.41 26.93 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.047 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.912 -176.12 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.622 ' HE2' HE22 ' B' ' 52' ' ' GLN . 0.6 OUTLIER -71.72 -54.8 9.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.052 0.453 . . . . 0.0 110.011 178.216 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.652 ' HB3' ' HE2' ' A' ' 53' ' ' LYS . 7.7 mt-10 -69.35 -11.65 60.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.556 -179.22 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' TYR . . . . . 0.597 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 63.2 t80 -77.46 -47.88 18.55 Favored 'General case' 0 N--CA 1.438 -1.066 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.833 175.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.6 ' HG ' ' HG3' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -59.28 -39.46 82.99 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.067 175.874 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.622 HE22 ' HE2' ' B' ' 48' ' ' LYS . 1.2 mp0 -72.14 -38.81 69.13 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.813 0.339 . . . . 0.0 111.256 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.807 ' HD3' ' HD3' ' A' ' 53' ' ' LYS . 25.1 ttpp -73.33 -16.16 61.37 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.211 0.529 . . . . 0.0 110.188 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.449 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 2.8 tpt180 -103.19 -69.94 0.78 Allowed 'General case' 0 N--CA 1.44 -0.927 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.94 -176.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -174.32 -65.65 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.463 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.605 -1.108 . . . . 0.0 112.345 -179.928 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt . . . . . 0 N--CA 1.478 0.947 0 CA-C-O 121.038 0.447 . . . . 0.0 109.917 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.428 ' HG3' ' HB3' ' B' ' 22' ' ' LYS . 4.3 pt20 -112.89 120.56 41.85 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 175.228 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -94.41 146.41 24.09 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.696 0.76 . . . . 0.0 112.544 -168.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.436 ' O ' ' HA ' ' B' ' 19' ' ' TYR . . . -133.8 174.58 10.3 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.316 -1.311 . . . . 0.0 108.686 176.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.405 HG22 ' CD1' ' B' ' 19' ' ' TYR . 2.1 t -114.43 159.97 14.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.181 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.522 ' O ' ' HA2' ' B' ' 17' ' ' GLY . 2.3 t80 -149.34 121.6 8.39 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -177.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.519 ' HA2' ' O ' ' B' ' 16' ' ' PHE . . . -126.9 93.54 0.4 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 121.024 -0.608 . . . . 0.0 111.631 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.723 HD12 HG23 ' B' ' 40' ' ' THR . 33.3 pt -122.73 167.26 16.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 120.785 0.326 . . . . 0.0 111.722 -174.258 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.429 ' HA ' ' O ' ' B' ' 14' ' ' ALA . 66.7 m-85 -107.81 93.55 4.6 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.155 176.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.463 ' HB2' ' HG2' ' B' ' 44' ' ' GLU . 26.1 ptm -106.34 158.68 16.7 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.006 -178.162 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -58.2 152.79 16.35 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.308 0.575 . . . . 0.0 111.152 -179.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.441 ' HB3' ' HG3' ' B' ' 12' ' ' GLN . 77.3 tttt -78.47 -61.55 1.97 Allowed 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.847 -177.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -47.58 -35.51 9.23 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.092 0.87 . . . . 0.0 112.415 -176.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.698 HD11 ' CG2' ' B' ' 47' ' ' ILE . 0.6 OUTLIER -78.03 -52.55 8.61 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.497 -179.363 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.461 ' N ' HD13 ' A' ' 24' ' ' LEU . 3.3 ttpm? -61.42 -33.57 73.92 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.787 0.803 . . . . 0.0 109.967 177.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.435 ' O ' HG23 ' A' ' 30' ' ' VAL . 22.0 m -74.48 -33.96 62.99 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.539 -1.209 . . . . 0.0 110.903 -177.301 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.44 ' HG3' ' HG ' ' B' ' 51' ' ' LEU . 13.8 tpp180 -56.33 -52.25 65.24 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.375 0.607 . . . . 0.0 109.777 171.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.658 HD11 ' HB3' ' A' ' 42' ' ' ALA . 3.3 tm? -61.19 -37.21 82.15 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.963 176.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.454 ' HD3' ' C ' ' A' ' 29' ' ' LYS . 1.3 tmtp? -54.86 -39.49 68.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.073 0.464 . . . . 0.0 110.343 176.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 26' ' ' THR . 78.4 t -69.11 -34.48 63.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.412 0.625 . . . . 0.0 110.784 177.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.506 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 86.1 t80 -62.37 -39.16 92.27 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.678 175.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.538 ' SG ' ' HA ' ' A' ' 39' ' ' LEU . 80.7 m -72.47 -25.6 61.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.405 178.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.11 -38.11 32.28 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 121.212 0.53 . . . . 0.0 110.187 178.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -77.01 -36.41 56.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.859 -176.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.506 ' HB3' HD13 ' A' ' 37' ' ' LEU . 34.1 m-80 -95.01 -1.05 53.17 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.003 0.43 . . . . 0.0 110.162 178.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.2 m120 57.61 25.6 11.85 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.829 -174.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.506 HD13 ' HB3' ' A' ' 35' ' ' ASN . 1.9 mp -76.1 165.47 24.87 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.186 178.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -88.31 135.56 33.4 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.448 174.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.538 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 0.1 OUTLIER -46.73 -50.86 17.37 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 123.484 0.49 . . . . 0.0 110.732 178.333 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.739 HG23 HD12 ' B' ' 18' ' ' ILE . 5.0 m -60.63 -49.37 77.78 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.503 -179.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.43 ' NE2' ' HG ' ' A' ' 37' ' ' LEU . 24.0 tt0 -55.62 -38.09 69.04 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.939 0.4 . . . . 0.0 110.515 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.658 ' HB3' HD11 ' A' ' 28' ' ' LEU . . . -67.61 -45.55 75.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.172 179.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.462 ' O ' HG22 ' A' ' 47' ' ' ILE . 1.5 mp -57.53 -46.43 86.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.828 0.347 . . . . 0.0 110.473 175.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.454 ' HG2' ' HB2' ' B' ' 20' ' ' MET . 46.8 mt-10 -62.38 -43.52 98.62 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.027 -178.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -63.05 -38.9 93.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.059 0.457 . . . . 0.0 109.979 173.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.744 ' HB1' ' HA ' ' B' ' 47' ' ' ILE . . . -62.23 -54.97 33.14 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.761 -179.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.75 ' HA ' ' HB1' ' B' ' 46' ' ' ALA . 19.9 tt -69.8 -23.83 26.15 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.148 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.292 -177.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.764 ' HE2' HE22 ' A' ' 52' ' ' GLN . 0.6 OUTLIER -71.98 -60.61 2.14 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 177.186 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.42 -21.46 25.33 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.644 175.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.651 ' CD1' ' HA ' ' B' ' 46' ' ' ALA . 60.4 t80 -70.51 -51.93 25.37 Favored 'General case' 0 N--CA 1.439 -1.024 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.618 -177.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.464 ' HG ' ' HG3' ' B' ' 27' ' ' ARG . 0.2 OUTLIER -58.42 -37.14 74.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.146 178.569 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.764 HE22 ' HE2' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -77.15 -35.53 56.01 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.473 -0.491 . . . . 0.0 111.417 -178.891 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -71.26 -23.32 61.96 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.377 0.608 . . . . 0.0 110.812 178.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.444 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 0.9 OUTLIER -100.88 -65.52 0.96 Allowed 'General case' 0 N--CA 1.436 -1.157 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.177 -171.682 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -174.11 -66.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.484 -178.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.884 0 CA-C-O 118.962 -0.91 . . . . 0.0 111.392 -175.717 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . 0.441 ' HG3' ' HB3' ' A' ' 22' ' ' LYS . 4.2 pt20 -113.4 120.42 41.0 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 175.242 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -94.4 146.23 24.21 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.778 0.799 . . . . 0.0 112.652 -168.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.429 ' O ' ' HA ' ' A' ' 19' ' ' TYR . . . -133.65 174.57 10.3 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.266 -1.334 . . . . 0.0 108.687 176.39 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.404 HG22 ' CD1' ' A' ' 19' ' ' TYR . 2.1 t -114.7 159.54 14.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.24 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.519 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 2.3 t80 -148.94 121.71 8.68 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -177.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . 0.522 ' HA2' ' O ' ' A' ' 16' ' ' PHE . . . -127.13 93.14 0.39 Allowed Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.926 -0.654 . . . . 0.0 111.666 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.739 HD12 HG23 ' A' ' 40' ' ' THR . 33.0 pt -122.33 167.29 16.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.855 0.36 . . . . 0.0 111.685 -173.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 66.8 m-85 -107.91 93.49 4.56 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.057 177.182 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . 0.454 ' HB2' ' HG2' ' A' ' 44' ' ' GLU . 26.1 ptm -106.37 158.91 16.54 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.027 -178.09 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -58.46 152.58 17.65 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.114 0.483 . . . . 0.0 111.082 -179.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.428 ' HB3' ' HG3' ' A' ' 12' ' ' GLN . 77.8 tttt -78.4 -61.73 1.91 Allowed 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 115.707 -0.678 . . . . 0.0 109.885 -177.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -47.2 -35.73 7.88 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 124.036 0.835 . . . . 0.0 112.412 -176.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . 0.682 HD11 ' CG2' ' A' ' 47' ' ' ILE . 0.6 OUTLIER -77.84 -52.66 8.52 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.435 -179.245 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.466 ' N ' HD13 ' B' ' 24' ' ' LEU . 3.3 ttpm? -61.35 -33.5 73.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.618 0.723 . . . . 0.0 109.955 177.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . 0.446 ' O ' HG23 ' B' ' 30' ' ' VAL . 22.5 m -74.82 -33.46 62.2 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.76 -1.109 . . . . 0.0 110.818 -177.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.464 ' HG3' ' HG ' ' A' ' 51' ' ' LEU . 13.7 tpp180 -56.87 -51.91 67.2 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.346 0.593 . . . . 0.0 109.606 171.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.65 HD11 ' HB3' ' B' ' 42' ' ' ALA . 3.3 tm? -61.44 -37.02 82.02 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.153 -0.931 . . . . 0.0 111.052 176.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.457 ' HD3' ' C ' ' B' ' 29' ' ' LYS . 1.3 tmtp? -55.09 -39.21 69.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.074 0.464 . . . . 0.0 110.504 177.046 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.446 HG23 ' O ' ' B' ' 26' ' ' THR . 80.4 t -69.33 -34.6 63.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.534 0.683 . . . . 0.0 110.75 177.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' TYR . . . . . 0.503 ' HB3' ' O ' ' B' ' 28' ' ' LEU . 85.6 t80 -62.09 -39.44 92.47 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.691 175.4 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' CYS . . . . . 0.535 ' SG ' ' HA ' ' B' ' 39' ' ' LEU . 82.3 m -72.21 -25.87 61.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.233 178.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.81 -38.13 33.64 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 121.424 0.63 . . . . 0.0 110.285 178.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -77.03 -36.76 55.94 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.778 -177.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . 0.501 ' HB3' HD13 ' B' ' 37' ' ' LEU . 35.4 m-80 -94.86 -0.56 53.94 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.358 178.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 18.5 m120 57.39 25.17 10.99 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.821 -174.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.501 HD13 ' HB3' ' B' ' 35' ' ' ASN . 2.0 mp -75.84 165.31 25.19 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.213 178.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -88.4 135.45 33.46 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.423 174.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.535 ' HA ' ' SG ' ' B' ' 32' ' ' CYS . 0.1 OUTLIER -46.38 -50.94 15.87 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 123.515 0.509 . . . . 0.0 110.814 178.296 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . 0.723 HG23 HD12 ' A' ' 18' ' ' ILE . 5.3 m -60.65 -49.33 77.94 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.443 -179.186 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.443 ' NE2' ' HG ' ' B' ' 37' ' ' LEU . 24.0 tt0 -55.61 -38.0 68.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.918 0.389 . . . . 0.0 110.466 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.65 ' HB3' HD11 ' B' ' 28' ' ' LEU . . . -67.72 -45.68 74.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.079 179.362 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.461 ' O ' HG22 ' B' ' 47' ' ' ILE . 1.5 mp -57.44 -46.4 85.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 120.866 0.365 . . . . 0.0 110.465 175.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.463 ' HG2' ' HB2' ' A' ' 20' ' ' MET . 47.2 mt-10 -62.66 -43.21 99.39 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.028 -178.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -63.29 -38.89 92.93 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.049 0.452 . . . . 0.0 109.967 173.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.75 ' HB1' ' HA ' ' A' ' 47' ' ' ILE . . . -62.24 -55.0 32.72 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.777 -179.393 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.744 ' HA ' ' HB1' ' A' ' 46' ' ' ALA . 20.0 tt -69.69 -23.89 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.128 0 CA-C-N 115.349 -0.842 . . . . 0.0 111.325 -177.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.756 ' HE2' HE22 ' B' ' 52' ' ' GLN . 0.5 OUTLIER -71.91 -60.46 2.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.137 177.049 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.7 -21.3 26.83 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.703 175.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' TYR . . . . . 0.646 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 60.4 t80 -70.6 -51.92 24.96 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.748 -178.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.44 ' HG ' ' HG3' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -58.34 -37.06 74.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.134 178.439 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.756 HE22 ' HE2' ' B' ' 48' ' ' LYS . 0.8 OUTLIER -77.23 -35.44 55.52 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.589 -0.445 . . . . 0.0 111.461 -178.905 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -71.07 -23.98 62.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.502 0.668 . . . . 0.0 110.582 178.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.446 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 0.9 OUTLIER -100.44 -65.88 0.94 Allowed 'General case' 0 N--CA 1.435 -1.224 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.004 -171.298 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -173.94 -66.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.534 -178.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.751 0 CA-C-O 118.771 -1.016 . . . . 0.0 111.67 -176.128 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.3 mttt . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 120.341 0.115 . . . . 0.0 110.775 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 71.09 -50.24 0.68 Allowed 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.446 0.699 . . . . 0.0 112.877 174.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -103.01 157.04 17.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.344 0.592 . . . . 0.0 111.372 -174.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.429 ' O ' ' HA ' ' B' ' 19' ' ' TYR . . . -139.45 169.02 18.52 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.817 176.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.452 HG22 ' CD1' ' B' ' 19' ' ' TYR . 2.2 t -109.19 161.27 7.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 177.093 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.609 ' O ' ' HA2' ' B' ' 17' ' ' GLY . 2.7 t80 -152.82 120.31 5.97 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -178.17 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.603 ' HA2' ' O ' ' B' ' 16' ' ' PHE . . . -126.81 96.57 0.46 Allowed Glycine 0 N--CA 1.451 -0.362 0 O-C-N 123.605 0.566 . . . . 0.0 111.704 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.742 HD12 HG23 ' B' ' 40' ' ' THR . 36.2 pt -124.78 169.23 16.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -174.155 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.464 ' CD1' HG22 ' B' ' 15' ' ' VAL . 75.5 m-85 -108.84 96.47 6.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.275 177.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.465 ' HB2' ' HG2' ' B' ' 44' ' ' GLU . 23.7 ptm -110.77 156.21 21.41 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.991 -177.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -59.68 153.8 19.36 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.203 0.525 . . . . 0.0 111.826 -176.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -77.17 -60.88 2.18 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.394 -174.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -50.67 -34.48 26.7 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 123.754 0.658 . . . . 0.0 111.638 -176.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.764 HD23 ' HE2' ' B' ' 48' ' ' LYS . 0.5 OUTLIER -76.16 -56.11 4.95 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.811 -179.784 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.406 ' N ' HD13 ' A' ' 24' ' ' LEU . 3.0 ttpm? -60.14 -31.81 70.43 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.809 0.814 . . . . 0.0 109.558 178.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.501 ' O ' HG23 ' A' ' 30' ' ' VAL . 95.0 m -78.81 -32.71 46.41 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.563 -1.198 . . . . 0.0 110.726 -177.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.607 ' HG3' ' HG ' ' B' ' 51' ' ' LEU . 13.2 tpp180 -56.9 -50.29 72.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.467 0.651 . . . . 0.0 109.58 171.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.736 HD11 ' HB3' ' A' ' 42' ' ' ALA . 3.2 tm? -63.13 -34.53 77.81 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.836 175.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.445 ' HD3' ' C ' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -57.54 -40.76 79.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.964 0.411 . . . . 0.0 110.085 175.657 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 26' ' ' THR . 85.0 t -67.39 -33.66 63.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.56 0.695 . . . . 0.0 110.724 177.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.416 ' HB3' HD22 ' A' ' 28' ' ' LEU . 69.2 t80 -65.03 -38.81 92.09 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.854 175.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.438 ' SG ' ' HA ' ' A' ' 39' ' ' LEU . 69.6 m -75.65 -21.36 57.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.764 178.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.08 -35.66 31.41 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.135 0.493 . . . . 0.0 110.152 176.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -70.65 -46.74 62.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.318 -179.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.457 ' HB3' HD13 ' A' ' 37' ' ' LEU . 39.1 m-80 -94.2 1.27 56.06 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.255 -178.316 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 57.32 22.72 8.07 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.903 -174.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.457 HD13 ' HB3' ' A' ' 35' ' ' ASN . 1.4 mp -70.2 166.4 20.08 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.358 0.599 . . . . 0.0 111.512 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -87.58 132.69 33.98 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.418 175.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.47 HD12 ' CZ ' ' B' ' 16' ' ' PHE . 0.1 OUTLIER -45.72 -49.94 14.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 123.678 0.611 . . . . 0.0 111.063 179.668 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.755 HG23 HD12 ' B' ' 18' ' ' ILE . 7.0 m -61.24 -48.87 79.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.579 -178.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.435 ' NE2' ' HG ' ' A' ' 37' ' ' LEU . 25.2 tt0 -55.83 -37.84 69.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.084 0.469 . . . . 0.0 110.567 -179.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.736 ' HB3' HD11 ' A' ' 28' ' ' LEU . . . -68.5 -45.54 72.05 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.049 179.108 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.474 ' O ' HG22 ' A' ' 47' ' ' ILE . 1.5 mp -57.2 -46.94 84.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.736 0.303 . . . . 0.0 110.505 176.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.475 ' HG2' ' HB2' ' B' ' 20' ' ' MET . 45.5 mt-10 -62.37 -44.99 95.17 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.968 -177.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -65.04 -33.84 77.0 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.859 0.361 . . . . 0.0 110.221 175.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.741 ' HB1' ' HA ' ' B' ' 47' ' ' ILE . . . -64.15 -56.13 16.92 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.594 178.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.745 ' HA ' ' HB1' ' B' ' 46' ' ' ALA . 19.1 tt -66.36 -30.06 48.63 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.029 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.355 -178.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.793 ' HE2' HD23 ' B' ' 24' ' ' LEU . 14.0 tppt? -67.75 -55.4 13.22 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.074 178.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -70.23 -11.71 61.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.778 0.323 . . . . 0.0 110.778 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.64 ' CD1' ' HA ' ' B' ' 46' ' ' ALA . 60.7 t80 -76.88 -45.92 26.43 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.084 177.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.599 ' HG ' ' HG3' ' B' ' 27' ' ' ARG . 0.2 OUTLIER -60.87 -37.81 83.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.398 177.101 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.555 HE22 ' HD3' ' A' ' 48' ' ' LYS . 1.1 mp0 -77.49 -28.11 52.13 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.305 -0.558 . . . . 0.0 111.227 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -73.59 -16.3 61.25 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.496 0.665 . . . . 0.0 109.856 174.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -110.39 -75.57 0.62 Allowed 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.807 -174.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.8 p30 176.74 -58.76 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.574 -175.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.696 -1.058 . . . . 0.0 112.664 178.293 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 98.2 mttt . . . . . 0 N--CA 1.478 0.951 0 CA-C-O 120.233 0.063 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 71.12 -50.15 0.68 Allowed 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.624 0.77 . . . . 0.0 112.766 174.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -103.17 157.42 17.01 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.415 0.626 . . . . 0.0 111.276 -173.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.419 ' O ' ' HA ' ' A' ' 19' ' ' TYR . . . -139.75 169.51 17.59 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.694 177.008 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.464 HG22 ' CD1' ' A' ' 19' ' ' TYR . 2.3 t -109.64 161.38 8.04 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 177.365 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.603 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 2.8 t80 -152.89 120.24 5.91 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 -178.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . 0.609 ' HA2' ' O ' ' A' ' 16' ' ' PHE . . . -126.85 96.37 0.45 Allowed Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 111.572 -0.611 . . . . 0.0 111.572 -179.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.755 HD12 HG23 ' A' ' 40' ' ' THR . 35.8 pt -124.42 169.28 15.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.92 0.39 . . . . 0.0 111.916 -174.324 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . 0.452 ' CD1' HG22 ' A' ' 15' ' ' VAL . 75.5 m-85 -108.79 96.37 6.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.22 177.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . 0.475 ' HB2' ' HG2' ' A' ' 44' ' ' GLU . 23.9 ptm -110.59 156.21 21.26 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.828 -177.265 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -59.4 153.94 18.03 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.311 0.577 . . . . 0.0 111.805 -176.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -77.35 -60.69 2.26 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.565 -174.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -50.44 -34.99 26.65 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 123.793 0.683 . . . . 0.0 111.594 -176.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . 0.793 HD23 ' HE2' ' A' ' 48' ' ' LYS . 0.5 OUTLIER -76.0 -55.89 5.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.854 -179.521 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.414 ' N ' HD13 ' B' ' 24' ' ' LEU . 3.0 ttpm? -60.37 -31.9 70.78 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.793 0.806 . . . . 0.0 109.537 178.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . 0.508 ' O ' HG23 ' B' ' 30' ' ' VAL . 97.5 m -78.44 -32.75 48.67 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.503 -1.226 . . . . 0.0 110.627 -177.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.599 ' HG3' ' HG ' ' A' ' 51' ' ' LEU . 13.2 tpp180 -57.31 -50.13 73.91 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.344 0.592 . . . . 0.0 109.486 172.082 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.723 HD11 ' HB3' ' B' ' 42' ' ' ALA . 3.1 tm? -63.16 -34.53 77.83 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.91 175.174 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.445 ' HD3' ' C ' ' B' ' 29' ' ' LYS . 0.9 OUTLIER -57.5 -40.92 79.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.092 0.472 . . . . 0.0 109.948 175.611 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.508 HG23 ' O ' ' B' ' 26' ' ' THR . 86.6 t -67.37 -33.8 64.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.463 0.649 . . . . 0.0 110.688 178.047 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' TYR . . . . . 0.413 ' HB3' HD22 ' B' ' 28' ' ' LEU . 68.9 t80 -64.89 -38.78 92.11 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.884 175.423 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' CYS . . . . . 0.451 ' SG ' ' HA ' ' B' ' 39' ' ' LEU . 69.3 m -75.34 -21.87 58.05 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.68 178.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.45 -36.05 34.1 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.168 0.508 . . . . 0.0 110.011 176.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -70.38 -46.8 63.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.404 -178.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . 0.463 ' HB3' HD13 ' B' ' 37' ' ' LEU . 37.9 m-80 -94.37 1.3 55.87 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.298 -178.17 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 59.9 m-80 57.84 22.15 8.29 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.97 -175.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.463 HD13 ' HB3' ' B' ' 35' ' ' ASN . 1.4 mp -70.07 165.82 21.09 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.463 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -87.33 132.71 33.85 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.533 175.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.454 HD12 ' CZ ' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -45.66 -50.25 13.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 123.727 0.642 . . . . 0.0 111.049 179.717 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . 0.742 HG23 HD12 ' A' ' 18' ' ' ILE . 6.9 m -60.91 -49.04 79.08 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.642 -178.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.416 ' NE2' ' HG ' ' B' ' 37' ' ' LEU . 25.4 tt0 -55.87 -37.93 69.44 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.431 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.723 ' HB3' HD11 ' B' ' 28' ' ' LEU . . . -68.35 -45.69 72.15 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.043 179.043 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.474 ' O ' HG22 ' B' ' 47' ' ' ILE . 1.5 mp -57.01 -47.21 83.89 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.153 0 CA-C-O 120.787 0.327 . . . . 0.0 110.536 176.184 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.465 ' HG2' ' HB2' ' A' ' 20' ' ' MET . 44.9 mt-10 -62.13 -45.0 95.38 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.111 -177.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -65.06 -33.96 77.28 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 175.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.745 ' HB1' ' HA ' ' A' ' 47' ' ' ILE . . . -64.03 -56.27 16.24 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.563 178.483 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.741 ' HA ' ' HB1' ' A' ' 46' ' ' ALA . 19.1 tt -66.22 -30.16 49.01 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.067 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.224 -177.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.764 ' HE2' HD23 ' A' ' 24' ' ' LEU . 14.0 tppt? -67.85 -55.46 12.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.995 178.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -70.08 -11.77 61.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.815 0.34 . . . . 0.0 110.797 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' TYR . . . . . 0.625 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 61.0 t80 -76.87 -45.94 26.41 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.168 178.116 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.607 ' HG ' ' HG3' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -60.93 -37.64 83.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.493 176.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.542 HE22 ' CD ' ' B' ' 48' ' ' LYS . 1.1 mp0 -77.74 -27.62 50.53 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.198 -0.601 . . . . 0.0 111.433 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -73.92 -16.25 61.11 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.578 0.704 . . . . 0.0 109.828 174.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.408 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 1.1 tpt180 -110.4 -74.99 0.63 Allowed 'General case' 0 N--CA 1.44 -0.941 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.119 -174.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 4.0 p30 176.55 -59.35 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.653 0.781 . . . . 0.0 110.454 -175.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.643 -1.087 . . . . 0.0 112.636 178.451 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 2.5 mptp? . . . . . 0 N--CA 1.481 1.114 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -67.85 135.78 53.07 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 174.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -106.8 158.01 17.31 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.566 0.698 . . . . 0.0 112.343 -170.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -134.56 171.25 14.58 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.571 -1.195 . . . . 0.0 109.036 175.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.436 HG22 ' CD1' ' B' ' 19' ' ' TYR . 2.5 t -109.51 162.94 6.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.507 ' O ' ' HA2' ' B' ' 17' ' ' GLY . 3.2 t80 -151.83 121.11 6.77 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.516 ' HA2' ' O ' ' B' ' 16' ' ' PHE . . . -128.46 95.89 0.4 Allowed Glycine 0 N--CA 1.45 -0.406 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 -179.044 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.766 HD12 HG23 ' B' ' 40' ' ' THR . 41.8 pt -124.92 173.34 11.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.931 0.396 . . . . 0.0 111.475 -173.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.458 ' CD1' HG22 ' B' ' 15' ' ' VAL . 79.7 m-85 -117.07 101.45 8.49 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.097 179.184 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 22.0 ptm -115.27 158.04 22.91 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.306 -175.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.56 157.95 6.42 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.123 0.487 . . . . 0.0 111.867 -178.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.0 tttm -76.66 -65.16 0.97 Allowed 'General case' 0 C--O 1.214 -0.772 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.207 -178.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -46.3 -39.12 9.58 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.911 0.757 . . . . 0.0 112.157 -174.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.696 HD11 ' CG2' ' B' ' 47' ' ' ILE . 0.8 OUTLIER -71.3 -55.98 6.94 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.792 179.659 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.446 ' N ' HD13 ' A' ' 24' ' ' LEU . 3.8 ttpm? -61.5 -32.55 72.58 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 121.809 0.814 . . . . 0.0 109.906 178.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.497 ' O ' HG23 ' A' ' 30' ' ' VAL . 54.0 m -74.27 -37.72 63.63 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.666 -1.152 . . . . 0.0 110.773 -177.126 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.727 ' HG3' ' HG ' ' B' ' 51' ' ' LEU . 15.9 tpp180 -56.25 -50.48 71.2 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.691 173.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.67 HD11 ' HB3' ' A' ' 42' ' ' ALA . 3.0 tm? -61.84 -36.59 81.63 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.068 175.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.496 ' HD3' ' C ' ' A' ' 29' ' ' LYS . 0.7 OUTLIER -57.67 -40.34 79.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.123 0.487 . . . . 0.0 110.003 176.091 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 26' ' ' THR . 85.5 t -69.49 -32.43 52.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.608 0.718 . . . . 0.0 110.86 177.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.416 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 85.2 t80 -64.83 -38.55 91.37 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.7 174.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.427 ' SG ' HD13 ' A' ' 28' ' ' LEU . 69.2 m -74.86 -16.98 60.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.654 177.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.17 -34.53 20.5 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.21 0.529 . . . . 0.0 110.055 176.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -72.74 -46.11 55.2 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.244 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.422 ' HB3' HD13 ' A' ' 37' ' ' LEU . 34.3 m-80 -94.16 3.46 55.24 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.207 -178.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 53.53 25.28 4.66 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.328 -173.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.422 HD13 ' HB3' ' A' ' 35' ' ' ASN . 1.3 mp -72.64 164.45 26.46 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.361 0.6 . . . . 0.0 111.512 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -86.24 134.3 33.78 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.407 174.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.485 HD12 ' CZ ' ' B' ' 16' ' ' PHE . 0.2 OUTLIER -46.24 -50.48 15.89 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 123.657 0.598 . . . . 0.0 111.044 178.019 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.767 HG23 HD12 ' B' ' 18' ' ' ILE . 17.3 m -61.95 -47.85 83.0 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.095 -178.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.412 HE21 ' HG ' ' A' ' 37' ' ' LEU . 23.3 tt0 -56.92 -37.6 71.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.544 179.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.67 ' HB3' HD11 ' A' ' 28' ' ' LEU . . . -68.5 -45.97 70.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.192 178.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.496 ' O ' HG22 ' A' ' 47' ' ' ILE . 1.5 mp -56.4 -46.64 82.05 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.185 0 CA-C-O 120.656 0.265 . . . . 0.0 110.34 176.303 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.446 ' HA ' HG22 ' A' ' 47' ' ' ILE . 45.6 mt-10 -62.17 -42.17 99.01 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.973 -179.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -62.42 -41.63 98.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.191 0.519 . . . . 0.0 109.895 173.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.701 ' HB1' ' HA ' ' B' ' 47' ' ' ILE . . . -61.3 -54.27 46.09 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.751 -178.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.733 ' HA ' ' HB1' ' B' ' 46' ' ' ALA . 20.3 tt -69.79 -24.87 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.17 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.022 -177.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.716 ' HE2' HE22 ' A' ' 52' ' ' GLN . 1.5 tpmt? -70.88 -61.04 1.91 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.123 177.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.07 -22.48 50.49 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.161 177.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.625 ' CD1' ' HA ' ' B' ' 46' ' ' ALA . 55.4 t80 -69.35 -51.48 36.49 Favored 'General case' 0 N--CA 1.439 -1.008 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.625 -178.376 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.701 ' HG ' ' HG3' ' B' ' 27' ' ' ARG . 0.2 OUTLIER -60.21 -35.56 75.68 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.314 178.085 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.716 HE22 ' HE2' ' A' ' 48' ' ' LYS . 1.8 mp0 -75.75 -36.71 59.8 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.688 -0.405 . . . . 0.0 111.153 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -70.49 -19.42 62.94 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.338 0.59 . . . . 0.0 110.184 177.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.463 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -104.59 -75.64 0.62 Allowed 'General case' 0 N--CA 1.436 -1.175 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.38 -174.314 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.7 p30 177.57 -54.71 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.104 0.562 . . . . 0.0 111.287 -177.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.768 -1.018 . . . . 0.0 112.6 178.836 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' B' ' 11' ' ' LYS . 2.5 mptp? . . . . . 0 N--CA 1.479 0.982 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -68.11 135.83 52.78 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 174.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -107.07 158.52 17.0 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.424 0.631 . . . . 0.0 112.224 -170.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -134.93 171.19 14.75 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.672 -1.149 . . . . 0.0 108.891 176.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.458 HG22 ' CD1' ' A' ' 19' ' ' TYR . 2.5 t -109.56 163.04 6.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 179.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.516 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 3.2 t80 -151.99 121.14 6.71 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . 0.507 ' HA2' ' O ' ' A' ' 16' ' ' PHE . . . -128.19 96.13 0.41 Allowed Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 111.431 -0.668 . . . . 0.0 111.431 -179.143 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.767 HD12 HG23 ' A' ' 40' ' ' THR . 42.2 pt -125.01 173.36 11.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.984 0.421 . . . . 0.0 111.39 -173.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . 0.436 ' CD1' HG22 ' A' ' 15' ' ' VAL . 79.4 m-85 -117.13 101.66 8.65 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.077 178.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 22.0 ptm -115.15 158.07 22.74 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.342 -176.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.92 158.17 6.88 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.162 0.506 . . . . 0.0 111.809 -178.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -76.81 -64.89 1.02 Allowed 'General case' 0 C--O 1.215 -0.742 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.237 -178.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -46.55 -39.05 10.3 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 123.939 0.775 . . . . 0.0 111.968 -174.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . 0.682 HD11 ' CG2' ' A' ' 47' ' ' ILE . 0.8 OUTLIER -71.37 -55.58 7.69 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.798 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.448 ' N ' HD13 ' B' ' 24' ' ' LEU . 3.9 ttpm? -61.88 -32.25 72.6 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 121.724 0.773 . . . . 0.0 109.894 178.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . 0.48 ' O ' HG23 ' B' ' 30' ' ' VAL . 54.8 m -74.59 -37.89 62.76 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.678 -1.146 . . . . 0.0 110.537 -177.068 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.701 ' HG3' ' HG ' ' A' ' 51' ' ' LEU . 15.9 tpp180 -55.84 -50.94 69.19 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.631 173.502 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.654 HD11 ' HB3' ' B' ' 42' ' ' ALA . 3.0 tm? -61.7 -36.35 80.66 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.162 175.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.496 ' HD3' ' C ' ' B' ' 29' ' ' LYS . 0.7 OUTLIER -57.63 -40.59 79.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.088 0.471 . . . . 0.0 109.953 175.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.48 HG23 ' O ' ' B' ' 26' ' ' THR . 84.8 t -69.28 -32.85 55.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.716 177.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' TYR . . . . . 0.418 ' HB3' HD22 ' B' ' 28' ' ' LEU . 84.6 t80 -64.5 -38.82 92.34 Favored 'General case' 0 C--N 1.313 -1.022 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.557 174.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' CYS . . . . . 0.423 ' SG ' HD13 ' B' ' 28' ' ' LEU . 70.7 m -74.68 -17.2 60.71 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.705 178.135 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.13 -34.36 20.62 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.335 0.588 . . . . 0.0 109.978 176.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -72.67 -46.33 54.43 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.113 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . 0.412 ' HB3' HD13 ' B' ' 37' ' ' LEU . 34.5 m-80 -94.16 3.37 55.38 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.201 -178.128 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 53.55 25.79 5.11 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.16 -174.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.42 ' HG ' HE21 ' B' ' 41' ' ' GLN . 1.3 mp -72.97 164.77 26.19 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-O 121.338 0.59 . . . . 0.0 111.489 179.511 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -86.71 134.61 33.58 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.118 -0.946 . . . . 0.0 109.214 174.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.487 HD12 ' CZ ' ' A' ' 16' ' ' PHE . 0.2 OUTLIER -46.53 -50.41 17.23 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 123.602 0.564 . . . . 0.0 111.019 178.036 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . 0.766 HG23 HD12 ' A' ' 18' ' ' ILE . 18.0 m -61.93 -47.64 84.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.227 -179.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.42 HE21 ' HG ' ' B' ' 37' ' ' LEU . 23.2 tt0 -57.16 -37.51 72.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.448 179.544 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.654 ' HB3' HD11 ' B' ' 28' ' ' LEU . . . -68.57 -45.93 70.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.132 178.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.495 ' O ' HG22 ' B' ' 47' ' ' ILE . 1.5 mp -56.63 -46.25 82.74 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.261 0 CA-C-O 120.708 0.289 . . . . 0.0 110.318 176.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.444 ' HA ' HG22 ' B' ' 47' ' ' ILE . 47.1 mt-10 -62.41 -42.0 99.1 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.052 -179.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -62.45 -41.61 98.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.339 0.59 . . . . 0.0 109.768 173.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.733 ' HB1' ' HA ' ' A' ' 47' ' ' ILE . . . -61.24 -54.33 45.57 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.707 -178.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.701 ' HA ' ' HB1' ' A' ' 46' ' ' ALA . 20.4 tt -69.62 -24.95 27.68 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.206 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.028 -177.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.732 ' HE2' HE22 ' B' ' 52' ' ' GLN . 1.5 tpmt? -71.01 -60.78 2.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.292 177.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.29 -22.42 52.75 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 177.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' TYR . . . . . 0.63 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 55.9 t80 -69.34 -51.6 35.35 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.571 -178.431 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.727 ' HG ' ' HG3' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -60.51 -34.75 74.53 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.551 178.023 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.732 HE22 ' HE2' ' B' ' 48' ' ' LYS . 1.8 mp0 -76.23 -36.72 58.41 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.094 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -71.0 -18.59 62.59 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.459 0.647 . . . . 0.0 110.349 177.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.461 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 0.3 OUTLIER -105.12 -75.42 0.63 Allowed 'General case' 0 N--CA 1.435 -1.175 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.502 -174.708 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 5.8 p30 177.36 -54.99 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.21 -177.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.951 0 CA-C-O 118.999 -0.889 . . . . 0.0 112.548 178.879 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.4 mttt . . . . . 0 N--CA 1.48 1.057 0 CA-C-O 120.826 0.346 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.578 ' OE1' ' HD3' ' B' ' 22' ' ' LYS . 22.5 pt20 -73.59 123.26 23.64 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 177.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -107.46 145.29 33.23 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.768 -171.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -134.14 162.15 32.91 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.503 176.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.421 HG22 ' CD1' ' B' ' 19' ' ' TYR . 2.2 t -102.28 160.28 4.17 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 -178.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.538 ' O ' ' HA2' ' B' ' 17' ' ' GLY . 2.3 t80 -146.85 123.27 11.01 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.527 ' HA2' ' O ' ' B' ' 16' ' ' PHE . . . -131.43 90.95 0.28 Allowed Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.527 -177.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.728 HD12 HG23 ' B' ' 40' ' ' THR . 47.3 pt -122.51 162.99 21.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.844 0.354 . . . . 0.0 111.413 -174.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.455 ' CD1' HG22 ' B' ' 15' ' ' VAL . 63.8 m-85 -108.28 94.47 5.08 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.839 -0.618 . . . . 0.0 109.968 175.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.779 ' SD ' ' HB2' ' A' ' 25' ' ' LYS . 1.8 ptp -98.87 178.81 4.84 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.879 177.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.7 158.18 35.15 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 121.206 0.527 . . . . 0.0 110.932 176.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.54 ' HD3' ' OE1' ' B' ' 12' ' ' GLN . 51.0 tttm -78.91 -59.11 2.91 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.583 -177.392 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -47.6 -38.83 15.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.03 0.831 . . . . 0.0 111.873 -175.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.685 HD11 HG23 ' B' ' 47' ' ' ILE . 0.9 OUTLIER -73.78 -59.02 2.91 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.751 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.779 ' HB2' ' SD ' ' A' ' 20' ' ' MET . 3.1 ttpm? -51.85 -38.15 54.85 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.965 0.888 . . . . 0.0 109.732 176.217 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.488 ' O ' HG23 ' A' ' 30' ' ' VAL . 98.8 m -75.89 -32.12 59.53 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.09 -1.414 . . . . 0.0 110.904 -175.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.522 ' HG3' ' HG ' ' B' ' 51' ' ' LEU . 17.7 tpp180 -57.95 -53.76 54.63 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.28 172.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.673 HD11 ' HB3' ' A' ' 42' ' ' ALA . 3.0 tm? -60.1 -36.16 76.82 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.325 174.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.407 ' HD3' ' C ' ' A' ' 29' ' ' LYS . 13.6 tmtt? -56.05 -45.14 79.35 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.117 0.484 . . . . 0.0 110.579 176.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 26' ' ' THR . 90.6 t -66.67 -34.02 67.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.482 0.658 . . . . 0.0 110.655 179.13 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.414 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 91.3 t80 -63.1 -39.06 93.59 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.697 174.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.454 ' SG ' HD13 ' A' ' 28' ' ' LEU . 71.9 m -69.16 -36.62 77.58 Favored 'General case' 0 C--O 1.216 -0.687 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.725 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.85 -37.93 73.15 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 121.325 0.583 . . . . 0.0 110.563 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -71.96 -37.99 69.85 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.66 -177.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.577 ' HB3' HD13 ' A' ' 37' ' ' LEU . 34.8 m-80 -96.09 -1.35 48.83 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.585 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 60.92 24.24 14.28 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.61 -174.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.577 HD13 ' HB3' ' A' ' 35' ' ' ASN . 2.6 mp -75.93 163.66 26.97 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.034 178.051 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -91.66 134.1 34.99 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.372 176.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.442 HD12 ' CZ ' ' B' ' 16' ' ' PHE . 0.2 OUTLIER -45.3 -51.5 10.9 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 123.496 0.498 . . . . 0.0 111.3 178.621 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.739 HG23 HD12 ' B' ' 18' ' ' ILE . 14.5 m -60.15 -47.73 84.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.017 -179.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.442 ' NE2' ' HG ' ' A' ' 37' ' ' LEU . 18.3 tt0 -56.6 -38.78 72.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.264 179.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.673 ' HB3' HD11 ' A' ' 28' ' ' LEU . . . -69.73 -44.24 70.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.162 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.47 HG21 HD11 ' B' ' 18' ' ' ILE . 1.5 mp -58.34 -46.22 89.23 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.362 0 CA-C-O 120.535 0.207 . . . . 0.0 110.518 175.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.605 ' HG2' ' HB2' ' B' ' 20' ' ' MET . 46.9 mt-10 -61.15 -44.55 97.14 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.668 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -61.16 -40.91 95.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.007 0.432 . . . . 0.0 109.893 174.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.686 ' HB1' ' HA ' ' B' ' 47' ' ' ILE . . . -63.1 -54.09 43.41 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.623 -179.027 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.677 ' HA ' ' HB1' ' B' ' 46' ' ' ALA . 21.1 tt -69.46 -27.0 32.49 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.987 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.073 -177.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.768 ' HE2' HE22 ' A' ' 52' ' ' GLN . 0.6 OUTLIER -70.79 -56.39 6.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.894 0.378 . . . . 0.0 110.454 179.15 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -72.76 -9.1 58.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.826 -177.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.611 ' CD1' ' HA ' ' B' ' 46' ' ' ALA . 66.9 t80 -76.15 -45.3 34.21 Favored 'General case' 0 N--CA 1.434 -1.235 0 CA-C-N 116.114 -0.493 . . . . 0.0 109.854 176.216 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.509 ' HG ' ' HG3' ' B' ' 27' ' ' ARG . 0.2 OUTLIER -60.6 -38.41 84.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.169 175.534 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.768 HE22 ' HE2' ' A' ' 48' ' ' LYS . 1.2 mp0 -75.65 -35.92 60.3 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.6 -0.44 . . . . 0.0 111.522 -179.102 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 60.0 tttt -71.15 -19.82 62.38 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.424 0.631 . . . . 0.0 110.187 176.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.54 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 2.1 tpt180 -99.5 -72.33 0.67 Allowed 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.062 -174.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -173.9 -61.36 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.343 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.946 0 CA-C-O 118.486 -1.175 . . . . 0.0 112.252 -179.139 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 95.7 mttt . . . . . 0 N--CA 1.482 1.148 0 CA-C-O 120.857 0.36 . . . . 0.0 110.708 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . 0.54 ' OE1' ' HD3' ' A' ' 22' ' ' LYS . 22.2 pt20 -73.62 123.41 23.97 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.689 177.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -107.73 145.17 33.83 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.713 -171.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -134.03 162.08 33.07 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.551 177.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.455 HG22 ' CD1' ' A' ' 19' ' ' TYR . 2.2 t -102.12 160.07 4.16 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.054 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 -178.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.527 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 2.3 t80 -146.7 123.21 11.07 Favored 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.251 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . 0.538 ' HA2' ' O ' ' A' ' 16' ' ' PHE . . . -130.95 90.99 0.29 Allowed Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.995 -0.621 . . . . 0.0 111.616 -178.093 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.739 HD12 HG23 ' A' ' 40' ' ' THR . 47.5 pt -122.48 163.06 21.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 120.737 0.303 . . . . 0.0 111.352 -174.346 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . 0.421 ' CD1' HG22 ' A' ' 15' ' ' VAL . 64.1 m-85 -108.26 95.06 5.41 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.898 174.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . 0.771 ' SD ' ' HB2' ' B' ' 25' ' ' LYS . 1.7 ptp -99.33 178.87 4.76 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.812 177.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.65 158.07 35.42 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-O 121.148 0.499 . . . . 0.0 110.778 177.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.578 ' HD3' ' OE1' ' A' ' 12' ' ' GLN . 51.2 tttm -78.73 -59.43 2.78 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.63 -177.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -47.47 -38.67 14.18 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.023 0.827 . . . . 0.0 111.905 -175.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . 0.699 HD23 ' SD ' ' B' ' 20' ' ' MET . 0.9 OUTLIER -73.97 -58.93 2.97 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.738 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.771 ' HB2' ' SD ' ' B' ' 20' ' ' MET . 3.1 ttpm? -51.86 -38.42 55.9 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.936 0.874 . . . . 0.0 109.731 176.036 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . 0.489 ' O ' HG23 ' B' ' 30' ' ' VAL . 99.2 m -75.5 -32.17 60.45 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.093 -1.412 . . . . 0.0 110.82 -175.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.509 ' HG3' ' HG ' ' A' ' 51' ' ' LEU . 17.8 tpp180 -58.04 -53.82 53.92 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 172.151 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.672 HD11 ' HB3' ' B' ' 42' ' ' ALA . 3.0 tm? -60.21 -35.85 76.33 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.407 174.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.4 ' C ' ' HD3' ' B' ' 29' ' ' LYS . 13.6 tmtt? -56.26 -45.0 80.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.11 0.481 . . . . 0.0 110.517 176.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.489 HG23 ' O ' ' B' ' 26' ' ' THR . 93.4 t -66.79 -34.15 68.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.418 0.628 . . . . 0.0 110.599 179.166 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' TYR . . . . . 0.401 ' HB3' ' O ' ' B' ' 28' ' ' LEU . 91.5 t80 -62.89 -39.01 93.2 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.765 174.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' CYS . . . . . 0.449 ' SG ' HD13 ' B' ' 28' ' ' LEU . 72.0 m -69.27 -36.34 77.0 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.012 179.17 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.96 -37.82 72.78 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 121.32 0.581 . . . . 0.0 110.588 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -72.32 -37.69 68.86 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.648 -177.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . 0.559 ' HB3' HD13 ' B' ' 37' ' ' LEU . 35.5 m-80 -96.42 -1.12 48.17 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.591 179.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 60.49 24.5 14.12 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.547 -174.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.559 HD13 ' HB3' ' B' ' 35' ' ' ASN . 2.7 mp -76.2 163.31 27.19 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.965 178.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -91.19 134.28 34.68 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.415 176.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.431 HD12 ' CZ ' ' A' ' 16' ' ' PHE . 0.2 OUTLIER -45.22 -51.45 10.67 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 123.426 0.454 . . . . 0.0 111.265 178.334 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . 0.728 HG23 HD12 ' A' ' 18' ' ' ILE . 15.1 m -60.12 -47.87 84.1 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.98 -179.279 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.446 ' NE2' ' HG ' ' B' ' 37' ' ' LEU . 18.0 tt0 -56.31 -38.98 72.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.505 179.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.672 ' HB3' HD11 ' B' ' 28' ' ' LEU . . . -69.78 -44.2 70.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.215 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.462 HG21 HD11 ' A' ' 18' ' ' ILE . 1.5 mp -58.34 -46.36 89.18 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 CA-C-O 120.626 0.251 . . . . 0.0 110.349 175.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.573 ' HG2' ' HB2' ' A' ' 20' ' ' MET . 47.3 mt-10 -61.16 -44.94 96.52 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.664 -179.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -60.61 -40.87 93.43 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.249 0.547 . . . . 0.0 109.877 174.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.677 ' HB1' ' HA ' ' A' ' 47' ' ' ILE . . . -63.25 -54.18 41.4 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.62 -178.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.686 ' HA ' ' HB1' ' A' ' 46' ' ' ALA . 21.2 tt -69.28 -27.12 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.99 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.056 -177.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.739 ' HE2' HE22 ' B' ' 52' ' ' GLN . 0.6 OUTLIER -70.75 -56.22 6.87 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 121.156 0.503 . . . . 0.0 110.556 179.368 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -72.65 -9.67 58.88 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.808 -177.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' TYR . . . . . 0.605 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 66.6 t80 -75.72 -45.01 39.06 Favored 'General case' 0 N--CA 1.434 -1.243 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.824 176.398 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.522 ' HG ' ' HG3' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -61.01 -38.39 85.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.953 175.815 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.739 HE22 ' HE2' ' B' ' 48' ' ' LYS . 1.3 mp0 -75.62 -35.77 60.42 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.526 -0.47 . . . . 0.0 111.423 -179.021 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 60.7 tttt -71.47 -19.81 62.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.406 0.622 . . . . 0.0 110.109 176.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.54 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 2.2 tpt180 -99.35 -72.2 0.67 Allowed 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.037 -174.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -173.95 -61.36 0.02 OUTLIER 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.384 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.915 0 CA-C-O 118.649 -1.084 . . . . 0.0 112.24 -179.197 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt . . . . . 0 N--CA 1.479 1.008 0 CA-C-O 120.379 0.133 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -69.2 134.81 49.71 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 174.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -107.5 157.47 17.99 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.442 0.639 . . . . 0.0 111.715 -169.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -137.1 168.04 20.36 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.205 176.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.441 HG22 ' CD1' ' B' ' 19' ' ' TYR . 2.4 t -106.56 162.68 5.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.492 ' O ' ' HA2' ' B' ' 17' ' ' GLY . 3.4 t80 -152.24 124.59 8.22 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.484 ' HA2' ' O ' ' B' ' 16' ' ' PHE . . . -131.16 98.92 0.4 Allowed Glycine 0 N--CA 1.45 -0.367 0 N-CA-C 111.615 -0.594 . . . . 0.0 111.615 -179.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.786 HD12 HG23 ' B' ' 40' ' ' THR . 45.1 pt -127.37 171.56 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.747 0.308 . . . . 0.0 111.652 -174.242 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.457 ' CD1' HG22 ' B' ' 15' ' ' VAL . 73.8 m-85 -115.52 96.76 5.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.023 176.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.458 ' HB2' ' HG2' ' B' ' 44' ' ' GLU . 21.3 ptm -107.37 163.18 13.26 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.504 -177.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.77 156.75 10.59 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.078 0.466 . . . . 0.0 111.284 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -79.19 -63.09 1.5 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.806 -177.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -48.19 -39.39 20.81 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 123.874 0.734 . . . . 0.0 111.631 -175.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.776 HD11 HG23 ' B' ' 47' ' ' ILE . 0.2 OUTLIER -68.4 -58.08 4.89 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.719 179.486 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.467 ' HD2' ' CD1' ' B' ' 16' ' ' PHE . 3.3 ttpm? -59.68 -33.88 72.14 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.453 0.644 . . . . 0.0 110.1 178.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.528 ' O ' HG23 ' A' ' 30' ' ' VAL . 19.7 m -75.42 -34.23 60.99 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.556 -177.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.55 ' HG3' ' HG ' ' B' ' 51' ' ' LEU . 16.7 tpp180 -57.58 -54.08 50.92 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.49 0.662 . . . . 0.0 109.48 173.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.687 HD11 ' HB3' ' A' ' 42' ' ' ALA . 3.1 tm? -58.86 -36.12 74.08 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.443 174.513 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.405 ' C ' ' HD3' ' A' ' 29' ' ' LYS . 1.4 tmtp? -57.96 -42.46 85.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.979 0.418 . . . . 0.0 110.029 176.205 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 26' ' ' THR . 94.9 t -66.74 -34.71 71.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.572 177.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.442 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 91.3 t80 -62.58 -39.1 92.63 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.767 175.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.562 ' SG ' ' HA ' ' A' ' 39' ' ' LEU . 80.9 m -72.33 -32.06 66.2 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.123 179.537 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.2 -37.09 58.25 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.286 0.565 . . . . 0.0 110.437 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -74.21 -38.6 63.53 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.37 -177.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.427 ' HB3' HD13 ' A' ' 37' ' ' LEU . 42.2 m-80 -94.81 0.48 54.91 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.155 179.102 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 57.56 23.63 9.47 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.055 -175.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.427 HD13 ' HB3' ' A' ' 35' ' ' ASN . 1.4 mp -72.95 168.01 19.87 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.042 177.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -90.47 132.95 35.37 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.308 174.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.562 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 0.1 OUTLIER -45.73 -51.58 12.31 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 123.716 0.635 . . . . 0.0 110.683 178.802 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.805 HG23 HD12 ' B' ' 18' ' ' ILE . 10.4 m -59.59 -49.2 78.69 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.643 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.547 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 23.9 tt0 -55.84 -38.37 69.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.113 0.483 . . . . 0.0 110.528 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.687 ' HB3' HD11 ' A' ' 28' ' ' LEU . . . -67.36 -44.61 78.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.747 179.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.425 HG21 HD11 ' B' ' 18' ' ' ILE . 1.5 mp -58.21 -46.21 88.7 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.251 0 CA-C-O 120.941 0.4 . . . . 0.0 110.319 175.11 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.484 ' HG2' ' HB2' ' B' ' 20' ' ' MET . 47.8 mt-10 -62.02 -41.95 98.64 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.185 -178.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' A' ' 41' ' ' GLN . 10.5 mm-40 -69.0 -34.09 74.72 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 175.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.697 ' HB1' ' HA ' ' B' ' 47' ' ' ILE . . . -63.9 -54.91 27.33 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.527 178.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.79 HG23 HD11 ' B' ' 24' ' ' LEU . 20.8 tt -69.08 -24.79 28.55 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.209 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.073 -177.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.578 ' HA ' ' HE3' ' A' ' 48' ' ' LYS . 0.6 OUTLIER -74.05 -57.48 3.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.072 178.302 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -62.08 -16.51 52.67 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 176.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.647 ' CD1' ' HA ' ' B' ' 46' ' ' ALA . 56.9 t80 -71.67 -52.55 17.31 Favored 'General case' 0 N--CA 1.439 -0.975 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.231 177.101 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.563 ' HG ' ' HG3' ' B' ' 27' ' ' ARG . 0.2 OUTLIER -58.11 -33.68 69.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.353 177.509 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.578 HE22 ' HE2' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -77.27 -36.8 54.0 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.693 0.282 . . . . 0.0 110.948 178.567 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -71.63 -15.83 62.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.468 0.651 . . . . 0.0 110.025 178.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -106.11 -75.3 0.63 Allowed 'General case' 0 N--CA 1.435 -1.19 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.09 -176.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -175.29 -60.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.992 -177.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.845 0 CA-C-O 118.751 -1.027 . . . . 0.0 112.267 178.776 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt . . . . . 0 N--CA 1.482 1.146 0 N-CA-C 110.848 -0.056 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -68.41 134.6 50.44 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 174.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -107.35 157.44 17.95 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.374 0.607 . . . . 0.0 111.652 -169.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -137.41 167.87 20.75 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.938 -1.028 . . . . 0.0 109.155 176.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.457 HG22 ' CD1' ' A' ' 19' ' ' TYR . 2.4 t -106.43 162.7 5.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.484 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 3.4 t80 -152.16 123.73 7.84 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.856 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . 0.492 ' HA2' ' O ' ' A' ' 16' ' ' PHE . . . -130.06 99.61 0.45 Allowed Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 111.496 -0.642 . . . . 0.0 111.496 -179.506 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.805 HD12 HG23 ' A' ' 40' ' ' THR . 45.4 pt -127.65 171.83 15.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.941 0.4 . . . . 0.0 111.776 -174.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . 0.441 ' CD1' HG22 ' A' ' 15' ' ' VAL . 73.5 m-85 -115.82 96.89 5.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.989 176.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . 0.484 ' HB2' ' HG2' ' A' ' 44' ' ' GLU . 21.4 ptm -107.52 163.02 13.42 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.477 -177.41 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.67 156.51 10.78 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.171 0.51 . . . . 0.0 111.216 179.199 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -79.01 -63.45 1.42 Allowed 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.774 -177.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -47.71 -39.86 18.69 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 123.878 0.736 . . . . 0.0 111.691 -175.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . 0.79 HD11 HG23 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -68.16 -58.13 4.94 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.716 179.567 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.459 ' HD2' ' CD1' ' A' ' 16' ' ' PHE . 3.3 ttpm? -59.52 -33.79 71.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.52 0.676 . . . . 0.0 110.158 178.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . 0.514 ' O ' HG23 ' B' ' 30' ' ' VAL . 19.7 m -75.59 -34.29 60.63 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.723 -177.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.563 ' HG3' ' HG ' ' A' ' 51' ' ' LEU . 16.9 tpp180 -57.44 -54.35 47.83 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.556 0.693 . . . . 0.0 109.603 173.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.66 HD11 ' HB3' ' B' ' 42' ' ' ALA . 3.1 tm? -58.55 -36.2 73.53 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.35 174.449 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.417 ' HD3' ' C ' ' B' ' 29' ' ' LYS . 1.3 tmtp? -58.03 -42.3 85.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.97 0.414 . . . . 0.0 109.998 176.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.514 HG23 ' O ' ' B' ' 26' ' ' THR . 92.5 t -66.9 -34.72 71.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.456 0.646 . . . . 0.0 110.479 177.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' TYR . . . . . 0.439 ' HB3' ' O ' ' B' ' 28' ' ' LEU . 91.4 t80 -62.65 -39.05 92.68 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.796 175.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' CYS . . . . . 0.566 ' SG ' ' HA ' ' B' ' 39' ' ' LEU . 77.6 m -72.17 -32.37 66.78 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.145 179.333 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.87 -37.36 59.0 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.294 0.569 . . . . 0.0 110.394 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -73.73 -38.83 64.65 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.404 -177.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . 0.428 ' HB3' HD13 ' B' ' 37' ' ' LEU . 41.0 m-80 -94.61 0.26 55.02 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.233 179.27 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 57.46 24.07 9.8 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.514 -0.767 . . . . 0.0 111.076 -175.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.428 HD13 ' HB3' ' B' ' 35' ' ' ASN . 1.4 mp -73.2 167.84 20.35 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.114 177.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -90.52 132.7 35.54 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.301 174.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.566 ' HA ' ' SG ' ' B' ' 32' ' ' CYS . 0.1 OUTLIER -45.57 -51.27 12.21 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 123.624 0.578 . . . . 0.0 110.669 179.06 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . 0.786 HG23 HD12 ' A' ' 18' ' ' ILE . 8.9 m -59.64 -49.42 77.82 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.673 -179.167 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.551 ' O ' ' HG2' ' B' ' 45' ' ' GLU . 24.0 tt0 -55.9 -38.34 70.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.367 -179.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.66 ' HB3' HD11 ' B' ' 28' ' ' LEU . . . -67.36 -44.81 78.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.773 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.417 ' O ' HG22 ' B' ' 47' ' ' ILE . 1.5 mp -57.96 -46.18 87.75 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.234 0 CA-C-O 120.903 0.383 . . . . 0.0 110.408 174.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.458 ' HG2' ' HB2' ' A' ' 20' ' ' MET . 47.6 mt-10 -62.19 -41.96 98.84 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.093 -178.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.551 ' HG2' ' O ' ' B' ' 41' ' ' GLN . 9.3 mm-40 -69.3 -33.74 73.65 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 175.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.709 ' HB1' ' HA ' ' A' ' 47' ' ' ILE . . . -63.88 -54.84 28.47 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.53 178.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.776 HG23 HD11 ' A' ' 24' ' ' LEU . 20.9 tt -69.36 -24.46 27.66 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.119 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.003 -176.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.574 ' HA ' ' HE3' ' B' ' 48' ' ' LYS . 0.6 OUTLIER -74.12 -57.47 3.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.292 -0.413 . . . . 0.0 109.893 178.374 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -62.21 -16.66 54.73 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 176.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' TYR . . . . . 0.634 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 56.9 t80 -71.53 -52.7 16.88 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.301 177.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.55 ' HG ' ' HG3' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -57.97 -33.51 68.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.345 177.316 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.572 HE22 ' HE2' ' B' ' 48' ' ' LYS . 1.0 OUTLIER -77.62 -36.63 51.47 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.872 178.668 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -71.8 -15.79 62.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.452 0.644 . . . . 0.0 109.956 178.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -106.06 -74.92 0.64 Allowed 'General case' 0 N--CA 1.436 -1.126 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.188 -176.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -175.42 -60.47 0.01 OUTLIER 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.92 -178.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.512 -1.16 . . . . 0.0 112.133 179.472 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.0 pttt . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 69.4 -76.71 0.06 Allowed 'General case' 0 N--CA 1.463 0.223 0 O-C-N 123.862 0.726 . . . . 0.0 110.596 179.463 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -108.16 153.95 22.43 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.305 0.574 . . . . 0.0 111.122 -176.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.422 ' O ' ' HA ' ' B' ' 19' ' ' TYR . . . -137.2 169.19 18.19 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.734 177.185 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.414 HG22 ' CD1' ' B' ' 19' ' ' TYR . 2.2 t -110.02 161.14 8.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 179.064 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.582 ' O ' ' HA2' ' B' ' 17' ' ' GLY . 1.6 t80 -148.68 130.28 14.94 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.32 -0.4 . . . . 0.0 109.932 -177.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.59 ' HA2' ' O ' ' B' ' 16' ' ' PHE . . . -134.5 94.31 0.26 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.689 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.693 HD12 HG23 ' B' ' 40' ' ' THR . 43.6 pt -126.17 168.5 18.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.856 0.36 . . . . 0.0 111.83 -174.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.421 ' CD1' HG22 ' B' ' 15' ' ' VAL . 65.2 m-85 -109.37 97.35 6.95 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.959 176.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 22.6 ptm -108.59 156.73 19.19 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.264 -177.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -60.67 154.78 20.56 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.214 0.53 . . . . 0.0 112.359 -175.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -74.43 -64.51 1.01 Allowed 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.968 -174.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -49.92 -38.56 36.75 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 123.857 0.723 . . . . 0.0 111.541 -176.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.719 HD23 ' HE3' ' B' ' 48' ' ' LYS . 0.7 OUTLIER -68.91 -56.48 7.76 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.784 -179.836 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.447 ' N ' HD13 ' A' ' 24' ' ' LEU . 3.2 ttpm? -62.63 -30.29 71.25 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 121.751 0.786 . . . . 0.0 109.525 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.501 ' O ' HG23 ' A' ' 30' ' ' VAL . 20.9 m -74.83 -40.2 61.19 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.581 -1.19 . . . . 0.0 111.206 -177.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.502 ' HG3' ' HG ' ' B' ' 51' ' ' LEU . 12.3 tpp180 -55.59 -47.33 76.66 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.333 0.587 . . . . 0.0 110.045 173.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.653 HD11 ' HB3' ' A' ' 42' ' ' ALA . 3.2 tm? -65.01 -35.61 81.74 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.817 176.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.463 ' HD3' ' C ' ' A' ' 29' ' ' LYS . 1.2 tmtp? -57.1 -39.16 74.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.091 0.472 . . . . 0.0 110.008 175.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 26' ' ' THR . 57.7 t -68.74 -33.32 58.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.513 0.673 . . . . 0.0 110.819 177.555 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.442 ' HB3' HD22 ' A' ' 28' ' ' LEU . 90.6 t80 -65.79 -37.74 87.11 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.753 175.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.442 ' SG ' ' HA ' ' A' ' 39' ' ' LEU . 74.3 m -73.42 -19.53 60.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.834 177.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.39 -39.59 20.48 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.208 0.528 . . . . 0.0 109.947 175.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -69.67 -43.45 72.53 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.499 -178.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.595 ' HB3' HD13 ' A' ' 37' ' ' LEU . 34.1 m-80 -95.92 1.07 52.69 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.299 -179.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 55.14 24.36 6.12 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.694 -173.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.595 HD13 ' HB3' ' A' ' 35' ' ' ASN . 3.4 mp -69.71 163.85 24.77 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.417 0.627 . . . . 0.0 111.76 177.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -87.09 136.14 33.03 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.295 -0.866 . . . . 0.0 108.954 171.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.442 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 0.2 OUTLIER -45.21 -47.45 12.63 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 123.546 0.529 . . . . 0.0 111.043 179.696 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.721 HG23 HD12 ' B' ' 18' ' ' ILE . 9.6 m -62.25 -49.13 76.94 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.512 -179.196 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.593 ' NE2' ' HG ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -57.36 -36.19 70.88 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.024 0.44 . . . . 0.0 110.379 -179.352 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.653 ' HB3' HD11 ' A' ' 28' ' ' LEU . . . -69.12 -45.88 69.07 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.92 178.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.507 ' O ' HG22 ' A' ' 47' ' ' ILE . 1.5 mp -57.03 -45.58 83.95 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-O 120.718 0.294 . . . . 0.0 110.439 175.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.46 ' HA ' HG22 ' A' ' 47' ' ' ILE . 43.3 mt-10 -63.19 -47.2 83.6 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.901 -178.23 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -59.16 -36.99 76.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.826 0.346 . . . . 0.0 110.42 172.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.754 ' HB1' ' HA ' ' B' ' 47' ' ' ILE . . . -63.13 -56.88 13.05 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.586 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.769 ' HA ' ' HB1' ' B' ' 46' ' ' ALA . 19.7 tt -67.8 -27.94 39.74 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.103 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.316 -178.039 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.723 ' HE3' HD23 ' B' ' 24' ' ' LEU . 2.5 tpmt? -69.81 -59.46 2.92 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.407 176.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -62.76 -13.93 38.83 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 177.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.688 ' CD1' ' HA ' ' B' ' 46' ' ' ALA . 53.2 t80 -73.29 -54.15 9.09 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.708 179.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.5 ' HG ' ' HG3' ' B' ' 27' ' ' ARG . 0.2 OUTLIER -57.51 -37.73 73.46 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.003 179.301 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -78.6 -26.99 45.49 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.249 -179.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.402 ' HD2' ' HD2' ' B' ' 53' ' ' LYS . 86.5 tttt -76.51 -18.48 58.7 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.133 0.492 . . . . 0.0 110.162 175.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -108.85 -71.0 0.78 Allowed 'General case' 0 N--CA 1.44 -0.927 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.736 -172.461 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -179.26 -62.09 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.403 -177.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.929 0 CA-C-O 118.718 -1.045 . . . . 0.0 111.827 -176.255 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 65.3 pttt . . . . . 0 N--CA 1.482 1.132 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 70.08 -76.65 0.06 Allowed 'General case' 0 N--CA 1.465 0.288 0 O-C-N 123.884 0.74 . . . . 0.0 110.439 179.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -108.57 153.76 22.91 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.241 0.543 . . . . 0.0 111.151 -175.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.415 ' O ' ' HA ' ' A' ' 19' ' ' TYR . . . -136.97 169.2 18.18 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.634 177.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.421 HG22 ' CD1' ' A' ' 19' ' ' TYR . 2.2 t -109.72 161.58 7.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 178.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.59 ' O ' ' HA2' ' A' ' 17' ' ' GLY . 1.6 t80 -148.97 130.37 14.74 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 116.231 -0.44 . . . . 0.0 109.849 -177.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . 0.582 ' HA2' ' O ' ' A' ' 16' ' ' PHE . . . -134.69 94.29 0.25 Allowed Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 121.079 -0.581 . . . . 0.0 111.69 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.721 HD12 HG23 ' A' ' 40' ' ' THR . 43.9 pt -126.09 168.8 18.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -174.232 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . 0.422 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 64.9 m-85 -109.75 97.22 6.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.893 176.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 22.6 ptm -108.6 156.77 19.16 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.339 -177.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -60.78 154.9 20.64 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.213 0.53 . . . . 0.0 112.343 -175.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -74.4 -64.7 0.97 Allowed 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.84 -174.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -49.87 -38.24 34.53 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 123.807 0.692 . . . . 0.0 111.411 -176.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . 0.723 HD23 ' HE3' ' A' ' 48' ' ' LYS . 0.7 OUTLIER -69.38 -56.41 7.56 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.715 -179.56 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.442 ' N ' HD13 ' B' ' 24' ' ' LEU . 3.2 ttpm? -62.73 -29.96 71.07 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-O 121.73 0.776 . . . . 0.0 109.534 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . 0.475 ' O ' HG23 ' B' ' 30' ' ' VAL . 22.1 m -74.92 -40.42 60.87 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.532 -1.213 . . . . 0.0 111.046 -177.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.5 ' HG3' ' HG ' ' A' ' 51' ' ' LEU . 12.3 tpp180 -55.72 -47.16 77.36 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.316 0.579 . . . . 0.0 109.983 173.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.633 HD11 ' HB3' ' B' ' 42' ' ' ALA . 3.2 tm? -65.16 -35.36 80.84 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.959 176.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.459 ' HD3' ' C ' ' B' ' 29' ' ' LYS . 1.3 tmtp? -57.35 -39.03 75.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.005 0.431 . . . . 0.0 110.034 175.512 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.475 HG23 ' O ' ' B' ' 26' ' ' THR . 58.9 t -68.8 -33.64 60.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.676 0.75 . . . . 0.0 110.713 177.351 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' TYR . . . . . 0.441 ' HB3' HD22 ' B' ' 28' ' ' LEU . 90.3 t80 -65.63 -37.6 87.04 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.664 176.041 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' CYS . . . . . 0.453 ' SG ' ' HA ' ' B' ' 39' ' ' LEU . 80.9 m -73.62 -19.71 60.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.904 177.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.94 -40.24 20.37 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.284 0.564 . . . . 0.0 109.848 175.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -68.9 -43.94 74.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.366 -178.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . 0.617 ' HB3' HD13 ' B' ' 37' ' ' LEU . 35.5 m-80 -95.62 1.04 53.47 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.225 -179.13 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 55.31 23.8 5.93 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.557 -174.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.617 HD13 ' HB3' ' B' ' 35' ' ' ASN . 3.3 mp -69.36 163.83 24.28 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.389 0.614 . . . . 0.0 111.659 177.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -86.94 136.63 32.87 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.283 -0.871 . . . . 0.0 108.801 171.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.453 ' HA ' ' SG ' ' B' ' 32' ' ' CYS . 0.2 OUTLIER -45.64 -47.19 14.9 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 123.663 0.602 . . . . 0.0 110.964 179.675 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . 0.693 HG23 HD12 ' A' ' 18' ' ' ILE . 10.2 m -62.52 -49.11 76.65 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.567 -179.321 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.589 ' NE2' ' HG ' ' B' ' 37' ' ' LEU . 0.0 OUTLIER -57.21 -36.24 70.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.056 0.455 . . . . 0.0 110.548 -179.597 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.633 ' HB3' HD11 ' B' ' 28' ' ' LEU . . . -68.96 -46.14 68.88 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.842 178.672 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.499 ' O ' HG22 ' B' ' 47' ' ' ILE . 1.5 mp -57.09 -45.58 84.23 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.297 0 CA-C-O 120.541 0.21 . . . . 0.0 110.494 175.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.443 ' HA ' HG22 ' B' ' 47' ' ' ILE . 43.0 mt-10 -63.06 -46.97 84.98 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 -178.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -59.31 -36.74 76.17 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.779 0.324 . . . . 0.0 110.452 172.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.769 ' HB1' ' HA ' ' A' ' 47' ' ' ILE . . . -63.59 -56.77 13.32 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.453 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.754 ' HA ' ' HB1' ' A' ' 46' ' ' ALA . 19.7 tt -67.79 -27.89 39.59 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.033 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.323 -178.207 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.719 ' HE3' HD23 ' A' ' 24' ' ' LEU . 2.5 tpmt? -69.99 -59.29 3.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.442 176.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -62.64 -14.09 39.39 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 177.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' TYR . . . . . 0.675 ' CD1' ' HA ' ' A' ' 46' ' ' ALA . 53.4 t80 -73.48 -54.32 8.53 Favored 'General case' 0 N--CA 1.439 -1.024 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.621 179.317 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.502 ' HG ' ' HG3' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -57.26 -37.66 72.69 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.07 179.211 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -78.97 -26.72 43.45 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.477 -178.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.402 ' HD2' ' HD2' ' A' ' 53' ' ' LYS . 86.4 tttt -76.61 -18.4 58.64 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.335 0.588 . . . . 0.0 110.202 175.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -108.71 -71.22 0.77 Allowed 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.742 -172.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -179.4 -61.93 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.542 -177.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.703 -1.054 . . . . 0.0 112.005 -176.278 . . . . . . . . 0 0 . 1 stop_ save_